2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol

C22H30N2O — CID 75444912

IUPAC2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CNC2CN(Cc3ccccc3)CCC2C)cc1
InChIInChI=1S/C22H30N2O/c1-17-8-10-20(11-9-17)22(25)14-23-21-16-24(13-12-18(21)2)15-19-6-4-3-5-7-19/h3-11,18,21-23,25H,12-16H2,1-2H3
InChIKeyQDNOXYSTUUWINT-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.53
Rot. Bonds6

About 2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol

2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol (PubChem CID 75444912) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol
PubChem CID75444912
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CNC2CN(Cc3ccccc3)CCC2C)cc1
InChIInChI=1S/C22H30N2O/c1-17-8-10-20(11-9-17)22(25)14-23-21-16-24(13-12-18(21)2)15-19-6-4-3-5-7-19/h3-11,18,21-23,25H,12-16H2,1-2H3
InChIKeyQDNOXYSTUUWINT-UHFFFAOYSA-N
XLogP3.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid
CID 175597932
bis((3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine);(2S,3R)-3-hydroxy-2-(4-methylbenzoyl)-2-(4-methylbenzoyl)oxybutanedioic acid
CID 67295181
methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
CID 56832345
(1S)-1-(4-methylphenyl)-2-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]ethanol
CID 98848116
3-chloro-4-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 102960231
1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
CID 87886924
1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 110901793
(2R,3R)-2,3-dibenzoyloxybutanedioic acid;methyl N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]carbamate;propan-2-ol
CID 164977520
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol (CID 75444912) is 2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)CNC2CN(Cc3ccccc3)CCC2C)cc1.
What is the InChIKey of 2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol?
The InChIKey is QDNOXYSTUUWINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-17-8-10-20(11-9-17)22(25)14-23-21-16-24(13-12-18(21)2)15-19-6-4-3-5-7-19/h3-11,18,21-23,25H,12-16H2,1-2H3.
What are the key properties of 2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol?
2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol has a molecular weight of 338.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 75444912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).