2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid

C14H20N2O2 — CID 106821085

IUPAC2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid
SMILESCNC1(CC(=O)O)CCN(c2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-15-14(11-13(17)18)7-9-16(10-8-14)12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3,(H,17,18)
InChIKeyQETGOCVOQRSXRP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.72
Rot. Bonds4

About 2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid

2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid (PubChem CID 106821085) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid
PubChem CID106821085
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid
SMILESCNC1(CC(=O)O)CCN(c2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-15-14(11-13(17)18)7-9-16(10-8-14)12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3,(H,17,18)
InChIKeyQETGOCVOQRSXRP-UHFFFAOYSA-N
XLogP1.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-methyl-4-(methylamino)piperidin-4-yl]acetic acid
CID 65236604
2-[4-(ethylamino)-1-phenylpiperidin-4-yl]acetamide
CID 106821089
2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid
CID 114820838
4-methoxy-1-phenylpiperidine-4-carboxylic acid
CID 106821204
methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
CID 91798655
[1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012064
2-(1-hydroxycyclopentyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 111430178
4-(methoxycarbonylamino)-1-phenylpiperidine-4-carboxylic acid
CID 167851958
methyl 1-phenyl-4-(prop-2-ynylamino)piperidine-4-carboxylate
CID 106820622
methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 106820599
1-amino-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]cyclopentane-1-carboxamide
CID 119903462
2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid
CID 119125137

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid?
The IUPAC name of 2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid (CID 106821085) is 2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid is CNC1(CC(=O)O)CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid?
The InChIKey is QETGOCVOQRSXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-14(11-13(17)18)7-9-16(10-8-14)12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3,(H,17,18).
What are the key properties of 2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid?
2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid has a molecular weight of 248.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid is sourced from PubChem (CID 106821085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).