1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine

C78H119N5 — CID 157084052

IUPAC1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(C2=CCN(C)CC2)cc1.CC(C)c1ccc(C2CCCN(C)C2)cc1.CC(C)c1ccc(C2CCN(C(C)C)CC2)cc1.CC(C)c1ccc(C2CCN(C)CC2)cc1.CCN1CCC(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H27N.C16H25N.C15H23N.C15H21N.C15H23N/c1-13(2)15-5-7-16(8-6-15)17-9-11-18(12-10-17)14(3)4;1-4-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13(2)3;2*1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-12(2)13-6-8-14(9-7-13)15-5-4-10-16(3)11-15/h5-8,13-14,17H,9-12H2,1-4H3;5-8,13,16H,4,9-12H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-8,12H,9-11H2,1-3H3;6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyADWQDWHWFXHTOH-UHFFFAOYSA-N
MW1126.84 g/mol
LogP19.17
Rot. Bonds12

About 1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine

1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine (PubChem CID 157084052) has the molecular formula C78H119N5 and a molecular weight of 1126.84 g/mol. Its IUPAC name is 1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine
PubChem CID157084052
Molecular FormulaC78H119N5
Molecular Weight1126.84 g/mol
Exact Mass1125.95
IUPAC Name1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(C2=CCN(C)CC2)cc1.CC(C)c1ccc(C2CCCN(C)C2)cc1.CC(C)c1ccc(C2CCN(C(C)C)CC2)cc1.CC(C)c1ccc(C2CCN(C)CC2)cc1.CCN1CCC(c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H27N.C16H25N.C15H23N.C15H21N.C15H23N/c1-13(2)15-5-7-16(8-6-15)17-9-11-18(12-10-17)14(3)4;1-4-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13(2)3;2*1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-12(2)13-6-8-14(9-7-13)15-5-4-10-16(3)11-15/h5-8,13-14,17H,9-12H2,1-4H3;5-8,13,16H,4,9-12H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-8,12H,9-11H2,1-3H3;6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyADWQDWHWFXHTOH-UHFFFAOYSA-N
XLogP19.17
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.84
LogP ≤ 519.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine?
The IUPAC name of 1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine (CID 157084052) is 1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine?
The canonical SMILES for 1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine is CC(C)c1ccc(C2=CCN(C)CC2)cc1.CC(C)c1ccc(C2CCCN(C)C2)cc1.CC(C)c1ccc(C2CCN(C(C)C)CC2)cc1.CC(C)c1ccc(C2CCN(C)CC2)cc1.CCN1CCC(c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine?
The InChIKey is ADWQDWHWFXHTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C16H25N.C15H23N.C15H21N.C15H23N/c1-13(2)15-5-7-16(8-6-15)17-9-11-18(12-10-17)14(3)4;1-4-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13(2)3;2*1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;1-12(2)13-6-8-14(9-7-13)15-5-4-10-16(3)11-15/h5-8,13-14,17H,9-12H2,1-4H3;5-8,13,16H,4,9-12H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;4-8,12H,9-11H2,1-3H3;6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of 1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine?
1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine has a molecular weight of 1126.84 g/mol, XLogP of 19.17, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine;1-methyl-3-(4-propan-2-ylphenyl)piperidine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 157084052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).