2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid

C14H18ClNO3 — CID 119135422

IUPAC2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClNO3/c15-12-3-1-10(2-4-12)14(19)11-5-7-16(8-6-11)9-13(17)18/h1-4,11,14,19H,5-9H2,(H,17,18)
InChIKeyZTZGQODSRWCTNC-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.17
Rot. Bonds4

About 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid

2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid (PubChem CID 119135422) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
PubChem CID119135422
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClNO3/c15-12-3-1-10(2-4-12)14(19)11-5-7-16(8-6-11)9-13(17)18/h1-4,11,14,19H,5-9H2,(H,17,18)
InChIKeyZTZGQODSRWCTNC-UHFFFAOYSA-N
XLogP2.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzoic acid
CID 136550477
2-chloro-4-[[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzoic acid
CID 136550473
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
4-[[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methyl]benzaldehyde
CID 134101088
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
CID 111112309
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119321789
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-ethoxypropan-1-one
CID 111112283
6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053727
4-[(4-chlorophenyl)-hydroxymethyl]-N-prop-2-ynylpiperidine-1-carboxamide
CID 111111196
4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one
CID 120562532

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid (CID 119135422) is 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid?
The InChIKey is ZTZGQODSRWCTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-3-1-10(2-4-12)14(19)11-5-7-16(8-6-11)9-13(17)18/h1-4,11,14,19H,5-9H2,(H,17,18).
What are the key properties of 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid?
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid has a molecular weight of 283.75 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 119135422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).