[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol

C14H21ClN2O — CID 55014997

IUPAC[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol
SMILESNCC(c1ccc(Cl)cc1)N1CCCC(CO)C1
InChIInChI=1S/C14H21ClN2O/c15-13-5-3-12(4-6-13)14(8-16)17-7-1-2-11(9-17)10-18/h3-6,11,14,18H,1-2,7-10,16H2
InChIKeyQFALKWCQRKPELF-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.04
Rot. Bonds4

About [1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol

[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol (PubChem CID 55014997) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol
PubChem CID55014997
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol
SMILESNCC(c1ccc(Cl)cc1)N1CCCC(CO)C1
InChIInChI=1S/C14H21ClN2O/c15-13-5-3-12(4-6-13)14(8-16)17-7-1-2-11(9-17)10-18/h3-6,11,14,18H,1-2,7-10,16H2
InChIKeyQFALKWCQRKPELF-UHFFFAOYSA-N
XLogP2.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
CID 45075211
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171544
(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 51698188
2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605366
[1-[2-amino-1-(2-methoxyphenyl)ethyl]piperidin-3-yl]methanol
CID 55022224
2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586267
2-(4-ethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584286
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
1-[2-amino-1-(4-bromophenyl)ethyl]piperidin-3-ol
CID 55015978
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552547
[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol
CID 112624351

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol (CID 55014997) is [1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol is NCC(c1ccc(Cl)cc1)N1CCCC(CO)C1.
What is the InChIKey of [1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol?
The InChIKey is QFALKWCQRKPELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c15-13-5-3-12(4-6-13)14(8-16)17-7-1-2-11(9-17)10-18/h3-6,11,14,18H,1-2,7-10,16H2.
What are the key properties of [1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol?
[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol has a molecular weight of 268.79 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 55014997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).