2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride

C14H19ClNO2- — CID 53350421

IUPAC2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
SMILESCC1CCN(C(C(=O)O)c2ccccc2)CC1.[Cl-]
InChIInChI=1S/C14H19NO2.ClH/c1-11-7-9-15(10-8-11)13(14(16)17)12-5-3-2-4-6-12;/h2-6,11,13H,7-10H2,1H3,(H,16,17);1H/p-1
InChIKeyBPMVLWWUPAGSOZ-UHFFFAOYSA-M
MW268.76 g/mol
LogP-0.45
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride

2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride (PubChem CID 53350421) has the molecular formula C14H19ClNO2- and a molecular weight of 268.76 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
PubChem CID53350421
Molecular FormulaC14H19ClNO2-
Molecular Weight268.76 g/mol
Exact Mass268.11
IUPAC Name2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
SMILESCC1CCN(C(C(=O)O)c2ccccc2)CC1.[Cl-]
InChIInChI=1S/C14H19NO2.ClH/c1-11-7-9-15(10-8-11)13(14(16)17)12-5-3-2-4-6-12;/h2-6,11,13H,7-10H2,1H3,(H,16,17);1H/p-1
InChIKeyBPMVLWWUPAGSOZ-UHFFFAOYSA-M
XLogP-0.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 82345105
(2S)-N-carbamoyl-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 8557740
2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
CID 68764013
2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride
CID 118798723
2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
CID 67505976
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one
CID 143630259
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
1-methyl-4-phenylpiperidine;(2R)-2-phenyl-2-(3-phenylpyrrolidin-1-yl)acetic acid
CID 142020821
4-methyl-1-(3-phenylbutan-2-yl)piperidine
CID 176713457
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid
CID 66391933
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride (CID 53350421) is 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride is CC1CCN(C(C(=O)O)c2ccccc2)CC1.[Cl-].
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride?
The InChIKey is BPMVLWWUPAGSOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19NO2.ClH/c1-11-7-9-15(10-8-11)13(14(16)17)12-5-3-2-4-6-12;/h2-6,11,13H,7-10H2,1H3,(H,16,17);1H/p-1.
What are the key properties of 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride?
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride has a molecular weight of 268.76 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride is sourced from PubChem (CID 53350421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).