2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol

C14H21ClN2O — CID 117005013

IUPAC2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol
SMILESCN(CCO)C1CCCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2O/c1-16(9-10-18)14-3-2-8-17(11-14)13-6-4-12(15)5-7-13/h4-7,14,18H,2-3,8-11H2,1H3
InChIKeyGPATZMFUSHRXIF-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.23
Rot. Bonds4

About 2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol

2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol (PubChem CID 117005013) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol
PubChem CID117005013
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol
SMILESCN(CCO)C1CCCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2O/c1-16(9-10-18)14-3-2-8-17(11-14)13-6-4-12(15)5-7-13/h4-7,14,18H,2-3,8-11H2,1H3
InChIKeyGPATZMFUSHRXIF-UHFFFAOYSA-N
XLogP2.23
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]benzonitrile
CID 117005027
2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]acetonitrile
CID 117004856
2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol
CID 117005019
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine
CID 96567567
2-[[1-(2-fluorophenyl)pyrrolidin-3-yl]-methylamino]ethanol
CID 117004505
2-[methyl-[1-(4-methylphenyl)piperidin-3-yl]amino]acetonitrile
CID 117004843
2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824658
N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide
CID 96522063
2-(4-chlorophenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939590
1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547145

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol?
The IUPAC name of 2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol (CID 117005013) is 2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol is CN(CCO)C1CCCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol?
The InChIKey is GPATZMFUSHRXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16(9-10-18)14-3-2-8-17(11-14)13-6-4-12(15)5-7-13/h4-7,14,18H,2-3,8-11H2,1H3.
What are the key properties of 2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol?
2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol has a molecular weight of 268.79 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol is sourced from PubChem (CID 117005013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).