3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine

C113H174N8O — CID 161433855

IUPAC3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine
SMILESCC(C)(C)Cc1ccc(C2CCCNC2)cc1.CC(C)(C)Cc1ccc(OC2CCNC2)cc1.CC(C)Cc1ccc(C2=CCNCC2)cc1.CN1CC=C(c2ccc(CC(C)(C)C)cc2)CC1.CN1CCC(Nc2ccc(CC(C)(C)C)cc2)C1.CN1CCC(c2ccc(CC(C)(C)C)cc2)CC1.CN1CCCC(c2ccc(CC(C)(C)C)cc2)C1
InChIInChI=1S/C17H27N.C17H25N.C17H27N.C16H26N2.C16H25N.C15H23NO.C15H21N/c2*1-17(2,3)13-14-5-7-15(8-6-14)16-9-11-18(4)12-10-16;1-17(2,3)12-14-7-9-15(10-8-14)16-6-5-11-18(4)13-16;1-16(2,3)11-13-5-7-14(8-6-13)17-15-9-10-18(4)12-15;1-16(2,3)11-13-6-8-14(9-7-13)15-5-4-10-17-12-15;1-15(2,3)10-12-4-6-13(7-5-12)17-14-8-9-16-11-14;1-12(2)11-13-3-5-14(6-4-13)15-7-9-16-10-8-15/h5-8,16H,9-13H2,1-4H3;5-9H,10-13H2,1-4H3;7-10,16H,5-6,11-13H2,1-4H3;5-8,15,17H,9-12H2,1-4H3;6-9,15,17H,4-5,10-12H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;3-7,12,16H,8-11H2,1-2H3
InChIKeyVYJMOLJODXKUMB-UHFFFAOYSA-N
MW1660.69 g/mol
LogP25.57
Rot. Bonds17

About 3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine

3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 161433855) has the molecular formula C113H174N8O and a molecular weight of 1660.69 g/mol. Its IUPAC name is 3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine
PubChem CID161433855
Molecular FormulaC113H174N8O
Molecular Weight1660.69 g/mol
Exact Mass1659.38
IUPAC Name3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine
SMILESCC(C)(C)Cc1ccc(C2CCCNC2)cc1.CC(C)(C)Cc1ccc(OC2CCNC2)cc1.CC(C)Cc1ccc(C2=CCNCC2)cc1.CN1CC=C(c2ccc(CC(C)(C)C)cc2)CC1.CN1CCC(Nc2ccc(CC(C)(C)C)cc2)C1.CN1CCC(c2ccc(CC(C)(C)C)cc2)CC1.CN1CCCC(c2ccc(CC(C)(C)C)cc2)C1
InChIInChI=1S/C17H27N.C17H25N.C17H27N.C16H26N2.C16H25N.C15H23NO.C15H21N/c2*1-17(2,3)13-14-5-7-15(8-6-14)16-9-11-18(4)12-10-16;1-17(2,3)12-14-7-9-15(10-8-14)16-6-5-11-18(4)13-16;1-16(2,3)11-13-5-7-14(8-6-13)17-15-9-10-18(4)12-15;1-16(2,3)11-13-6-8-14(9-7-13)15-5-4-10-17-12-15;1-15(2,3)10-12-4-6-13(7-5-12)17-14-8-9-16-11-14;1-12(2)11-13-3-5-14(6-4-13)15-7-9-16-10-8-15/h5-8,16H,9-13H2,1-4H3;5-9H,10-13H2,1-4H3;7-10,16H,5-6,11-13H2,1-4H3;5-8,15,17H,9-12H2,1-4H3;6-9,15,17H,4-5,10-12H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;3-7,12,16H,8-11H2,1-2H3
InChIKeyVYJMOLJODXKUMB-UHFFFAOYSA-N
XLogP25.57
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001660.69
LogP ≤ 525.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine (CID 161433855) is 3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine is CC(C)(C)Cc1ccc(C2CCCNC2)cc1.CC(C)(C)Cc1ccc(OC2CCNC2)cc1.CC(C)Cc1ccc(C2=CCNCC2)cc1.CN1CC=C(c2ccc(CC(C)(C)C)cc2)CC1.CN1CCC(Nc2ccc(CC(C)(C)C)cc2)C1.CN1CCC(c2ccc(CC(C)(C)C)cc2)CC1.CN1CCCC(c2ccc(CC(C)(C)C)cc2)C1.
What is the InChIKey of 3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is VYJMOLJODXKUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C17H25N.C17H27N.C16H26N2.C16H25N.C15H23NO.C15H21N/c2*1-17(2,3)13-14-5-7-15(8-6-14)16-9-11-18(4)12-10-16;1-17(2,3)12-14-7-9-15(10-8-14)16-6-5-11-18(4)13-16;1-16(2,3)11-13-5-7-14(8-6-13)17-15-9-10-18(4)12-15;1-16(2,3)11-13-6-8-14(9-7-13)15-5-4-10-17-12-15;1-15(2,3)10-12-4-6-13(7-5-12)17-14-8-9-16-11-14;1-12(2)11-13-3-5-14(6-4-13)15-7-9-16-10-8-15/h5-8,16H,9-13H2,1-4H3;5-9H,10-13H2,1-4H3;7-10,16H,5-6,11-13H2,1-4H3;5-8,15,17H,9-12H2,1-4H3;6-9,15,17H,4-5,10-12H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;3-7,12,16H,8-11H2,1-2H3.
What are the key properties of 3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine?
3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 1660.69 g/mol, XLogP of 25.57, 17 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2-methylpropyl)phenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 161433855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).