[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol

C14H21ClN2O — CID 55132072

IUPAC[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
SMILESCC(N)c1ccc(N2CCC(CO)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(16)12-2-3-14(13(15)8-12)17-6-4-11(9-18)5-7-17/h2-3,8,10-11,18H,4-7,9,16H2,1H3
InChIKeyVBFSTZLNHFBUKV-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.57
Rot. Bonds3

About [1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol

[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol (PubChem CID 55132072) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
PubChem CID55132072
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
SMILESCC(N)c1ccc(N2CCC(CO)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(16)12-2-3-14(13(15)8-12)17-6-4-11(9-18)5-7-17/h2-3,8,10-11,18H,4-7,9,16H2,1H3
InChIKeyVBFSTZLNHFBUKV-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55132087
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
[1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 62909344
(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114237230
(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 78934855
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
[1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]azepan-2-yl]methanol
CID 104891529
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
[4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol
CID 81204298
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 62908663

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol (CID 55132072) is [1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol is CC(N)c1ccc(N2CCC(CO)CC2)c(Cl)c1.
What is the InChIKey of [1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol?
The InChIKey is VBFSTZLNHFBUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(16)12-2-3-14(13(15)8-12)17-6-4-11(9-18)5-7-17/h2-3,8,10-11,18H,4-7,9,16H2,1H3.
What are the key properties of [1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol?
[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol has a molecular weight of 268.79 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 55132072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).