2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine

C179H286N16O3 — CID 159000537

IUPAC2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine
SMILESCC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(Cc2ccccc2)C1.CC(C)N1CCC(Oc2cccnc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(Cc2ccccc2)C1.CC(C)N1CCCC(OCc2cccnc2)C1.CC(C)N1CCCC(Oc2ccccc2)C1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)N1CCCC1Cc1ccccc1.CC(C)N1CCCC1c1ccccc1.CC(C)N1CCCCC1.CC(C)N1CCCCC1C.CC(C)N1CCCCC1Cc1ccccc1.CC(C)N1CCCCC1c1ccccc1
InChIInChI=1S/2C15H23N.C14H22N2O.C14H21NO.4C14H21N.2C13H19N.C12H18N2O.C10H21N.C9H19N.C8H17N/c1-13(2)16-11-7-6-10-15(16)12-14-8-4-3-5-9-14;1-13(2)16-10-6-9-15(12-16)11-14-7-4-3-5-8-14;1-12(2)16-8-4-6-14(10-16)17-11-13-5-3-7-15-9-13;1-12(2)15-10-6-9-14(11-15)16-13-7-4-3-5-8-13;1-12(2)15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-12(2)15-10-6-9-14(15)11-13-7-4-3-5-8-13;1-12(2)15-9-8-14(11-15)10-13-6-4-3-5-7-13;1-11(2)14-10-6-9-13(14)12-7-4-3-5-8-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-10(2)14-7-5-12(9-14)15-11-4-3-6-13-8-11;1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3;3-5,7-8,13,15H,6,9-12H2,1-2H3;3,5,7,9,12,14H,4,6,8,10-11H2,1-2H3;3-5,7-8,12,14H,6,9-11H2,1-2H3;3-5,8-9,12,14H,6-7,10-11H2,1-2H3;2*3-5,7-8,12,14H,6,9-11H2,1-2H3;3-7,12,14H,8-11H2,1-2H3;3-5,7-8,11,13H,6,9-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;3-4,6,8,10,12H,5,7,9H2,1-2H3;9H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyJRHBQVGRZJJDFV-UHFFFAOYSA-N
MW2710.37 g/mol
LogP39.93
Rot. Bonds33

About 2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine

2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine (PubChem CID 159000537) has the molecular formula C179H286N16O3 and a molecular weight of 2710.37 g/mol. Its IUPAC name is 2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine.

Molecular Properties

Compound Name2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine
PubChem CID159000537
Molecular FormulaC179H286N16O3
Molecular Weight2710.37 g/mol
Exact Mass2708.27
IUPAC Name2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine
SMILESCC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(Cc2ccccc2)C1.CC(C)N1CCC(Oc2cccnc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(Cc2ccccc2)C1.CC(C)N1CCCC(OCc2cccnc2)C1.CC(C)N1CCCC(Oc2ccccc2)C1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)N1CCCC1Cc1ccccc1.CC(C)N1CCCC1c1ccccc1.CC(C)N1CCCCC1.CC(C)N1CCCCC1C.CC(C)N1CCCCC1Cc1ccccc1.CC(C)N1CCCCC1c1ccccc1
InChIInChI=1S/2C15H23N.C14H22N2O.C14H21NO.4C14H21N.2C13H19N.C12H18N2O.C10H21N.C9H19N.C8H17N/c1-13(2)16-11-7-6-10-15(16)12-14-8-4-3-5-9-14;1-13(2)16-10-6-9-15(12-16)11-14-7-4-3-5-8-14;1-12(2)16-8-4-6-14(10-16)17-11-13-5-3-7-15-9-13;1-12(2)15-10-6-9-14(11-15)16-13-7-4-3-5-8-13;1-12(2)15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-12(2)15-10-6-9-14(15)11-13-7-4-3-5-8-13;1-12(2)15-9-8-14(11-15)10-13-6-4-3-5-7-13;1-11(2)14-10-6-9-13(14)12-7-4-3-5-8-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-10(2)14-7-5-12(9-14)15-11-4-3-6-13-8-11;1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3;3-5,7-8,13,15H,6,9-12H2,1-2H3;3,5,7,9,12,14H,4,6,8,10-11H2,1-2H3;3-5,7-8,12,14H,6,9-11H2,1-2H3;3-5,8-9,12,14H,6-7,10-11H2,1-2H3;2*3-5,7-8,12,14H,6,9-11H2,1-2H3;3-7,12,14H,8-11H2,1-2H3;3-5,7-8,11,13H,6,9-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;3-4,6,8,10,12H,5,7,9H2,1-2H3;9H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyJRHBQVGRZJJDFV-UHFFFAOYSA-N
XLogP39.93
TPSA98.83 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds33
Heavy Atoms198
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002710.37
LogP ≤ 539.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine?
The IUPAC name of 2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine (CID 159000537) is 2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine.
What is the SMILES notation for 2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine?
The canonical SMILES for 2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine is CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(Cc2ccccc2)C1.CC(C)N1CCC(Oc2cccnc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(Cc2ccccc2)C1.CC(C)N1CCCC(OCc2cccnc2)C1.CC(C)N1CCCC(Oc2ccccc2)C1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)N1CCCC1Cc1ccccc1.CC(C)N1CCCC1c1ccccc1.CC(C)N1CCCCC1.CC(C)N1CCCCC1C.CC(C)N1CCCCC1Cc1ccccc1.CC(C)N1CCCCC1c1ccccc1.
What is the InChIKey of 2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine?
The InChIKey is JRHBQVGRZJJDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H23N.C14H22N2O.C14H21NO.4C14H21N.2C13H19N.C12H18N2O.C10H21N.C9H19N.C8H17N/c1-13(2)16-11-7-6-10-15(16)12-14-8-4-3-5-9-14;1-13(2)16-10-6-9-15(12-16)11-14-7-4-3-5-8-14;1-12(2)16-8-4-6-14(10-16)17-11-13-5-3-7-15-9-13;1-12(2)15-10-6-9-14(11-15)16-13-7-4-3-5-8-13;1-12(2)15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-12(2)15-10-6-9-14(15)11-13-7-4-3-5-8-13;1-12(2)15-9-8-14(11-15)10-13-6-4-3-5-7-13;1-11(2)14-10-6-9-13(14)12-7-4-3-5-8-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-10(2)14-7-5-12(9-14)15-11-4-3-6-13-8-11;1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3;3-5,7-8,13,15H,6,9-12H2,1-2H3;3,5,7,9,12,14H,4,6,8,10-11H2,1-2H3;3-5,7-8,12,14H,6,9-11H2,1-2H3;3-5,8-9,12,14H,6-7,10-11H2,1-2H3;2*3-5,7-8,12,14H,6,9-11H2,1-2H3;3-7,12,14H,8-11H2,1-2H3;3-5,7-8,11,13H,6,9-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;3-4,6,8,10,12H,5,7,9H2,1-2H3;9H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3.
What are the key properties of 2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine?
2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine has a molecular weight of 2710.37 g/mol, XLogP of 39.93, 33 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-propan-2-ylpiperidine;3-benzyl-1-propan-2-ylpiperidine;2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4,4-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;3-phenoxy-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidine;3-[(1-propan-2-ylpiperidin-3-yl)oxymethyl]pyridine;3-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine is sourced from PubChem (CID 159000537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).