2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol

C22H38N2O — CID 56859608

IUPAC2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol
SMILESCc1cccc(N2CCC(NCCC(C)CCCC(C)(C)O)CC2)c1
InChIInChI=1S/C22H38N2O/c1-18(8-6-13-22(3,4)25)10-14-23-20-11-15-24(16-12-20)21-9-5-7-19(2)17-21/h5,7,9,17-18,20,23,25H,6,8,10-16H2,1-4H3
InChIKeyPPNRPQLOIYFVGZ-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.52
Rot. Bonds9

About 2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol

2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol (PubChem CID 56859608) has the molecular formula C22H38N2O and a molecular weight of 346.56 g/mol. Its IUPAC name is 2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol.

Molecular Properties

Compound Name2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol
PubChem CID56859608
Molecular FormulaC22H38N2O
Molecular Weight346.56 g/mol
Exact Mass346.30
IUPAC Name2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol
SMILESCc1cccc(N2CCC(NCCC(C)CCCC(C)(C)O)CC2)c1
InChIInChI=1S/C22H38N2O/c1-18(8-6-13-22(3,4)25)10-14-23-20-11-15-24(16-12-20)21-9-5-7-19(2)17-21/h5,7,9,17-18,20,23,25H,6,8,10-16H2,1-4H3
InChIKeyPPNRPQLOIYFVGZ-UHFFFAOYSA-N
XLogP4.52
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol with MolForge

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Related Compounds

1-(3-methylphenyl)-N-propylpiperidin-4-amine
CID 43315485
6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol
CID 56852993
N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine
CID 131924607
2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid
CID 122127131
N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
CID 103779062
6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol
CID 56859983
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid
CID 154912859
(3S)-3-amino-4-[[1-(3-methylphenyl)piperidin-4-yl]amino]-4-oxobutanoic acid
CID 131933132
4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine
CID 104681774
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol?
The IUPAC name of 2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol (CID 56859608) is 2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol.
What is the SMILES notation for 2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol?
The canonical SMILES for 2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol is Cc1cccc(N2CCC(NCCC(C)CCCC(C)(C)O)CC2)c1.
What is the InChIKey of 2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol?
The InChIKey is PPNRPQLOIYFVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O/c1-18(8-6-13-22(3,4)25)10-14-23-20-11-15-24(16-12-20)21-9-5-7-19(2)17-21/h5,7,9,17-18,20,23,25H,6,8,10-16H2,1-4H3.
What are the key properties of 2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol?
2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol has a molecular weight of 346.56 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol is sourced from PubChem (CID 56859608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).