1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol

C14H21ClN2O — CID 102956061

IUPAC1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(C(CN)c2cccc(Cl)c2)CC1O
InChIInChI=1S/C14H21ClN2O/c1-10-5-6-17(9-14(10)18)13(8-16)11-3-2-4-12(15)7-11/h2-4,7,10,13-14,18H,5-6,8-9,16H2,1H3
InChIKeyOHANVTGDLPNGOG-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.04
Rot. Bonds3

About 1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol

1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol (PubChem CID 102956061) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
PubChem CID102956061
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(C(CN)c2cccc(Cl)c2)CC1O
InChIInChI=1S/C14H21ClN2O/c1-10-5-6-17(9-14(10)18)13(8-16)11-3-2-4-12(15)7-11/h2-4,7,10,13-14,18H,5-6,8-9,16H2,1H3
InChIKeyOHANVTGDLPNGOG-UHFFFAOYSA-N
XLogP2.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 114081770
1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
CID 114677976
1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956112
2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 63171639
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63603993
2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
CID 114843422
[4-[2-amino-1-(3-chlorophenyl)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932163
2-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562487
1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol
CID 102956003
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-chlorophenyl)ethanamine
CID 62773618
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol (CID 102956061) is 1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol is CC1CCN(C(CN)c2cccc(Cl)c2)CC1O.
What is the InChIKey of 1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol?
The InChIKey is OHANVTGDLPNGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-5-6-17(9-14(10)18)13(8-16)11-3-2-4-12(15)7-11/h2-4,7,10,13-14,18H,5-6,8-9,16H2,1H3.
What are the key properties of 1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol?
1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol has a molecular weight of 268.79 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102956061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).