2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride

C22H31ClN2O — CID 120852327

IUPAC2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride
SMILESCc1cccc(C(O)CN(Cc2ccccc2)CC2CCCNC2)c1.Cl
InChIInChI=1S/C22H30N2O.ClH/c1-18-7-5-11-21(13-18)22(25)17-24(15-19-8-3-2-4-9-19)16-20-10-6-12-23-14-20;/h2-5,7-9,11,13,20,22-23,25H,6,10,12,14-17H2,1H3;1H
InChIKeyZWXMTNXQOZRPLH-UHFFFAOYSA-N
MW374.96 g/mol
LogP3.95
Rot. Bonds7

About 2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride

2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride (PubChem CID 120852327) has the molecular formula C22H31ClN2O and a molecular weight of 374.96 g/mol. Its IUPAC name is 2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride
PubChem CID120852327
Molecular FormulaC22H31ClN2O
Molecular Weight374.96 g/mol
Exact Mass374.21
IUPAC Name2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride
SMILESCc1cccc(C(O)CN(Cc2ccccc2)CC2CCCNC2)c1.Cl
InChIInChI=1S/C22H30N2O.ClH/c1-18-7-5-11-21(13-18)22(25)17-24(15-19-8-3-2-4-9-19)16-20-10-6-12-23-14-20;/h2-5,7-9,11,13,20,22-23,25H,6,10,12,14-17H2,1H3;1H
InChIKeyZWXMTNXQOZRPLH-UHFFFAOYSA-N
XLogP3.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.96
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
CID 67098710
N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106624697
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
CID 119931376
(1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol
CID 129402782
1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol
CID 117342846
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride?
The IUPAC name of 2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride (CID 120852327) is 2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride is Cc1cccc(C(O)CN(Cc2ccccc2)CC2CCCNC2)c1.Cl.
What is the InChIKey of 2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride?
The InChIKey is ZWXMTNXQOZRPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O.ClH/c1-18-7-5-11-21(13-18)22(25)17-24(15-19-8-3-2-4-9-19)16-20-10-6-12-23-14-20;/h2-5,7-9,11,13,20,22-23,25H,6,10,12,14-17H2,1H3;1H.
What are the key properties of 2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride?
2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride has a molecular weight of 374.96 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 120852327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).