3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride

C15H22ClNO2 — CID 119923167

IUPAC3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride
SMILESCC1CN(CCC(=O)O)CCC1c1ccccc1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-12-11-16(10-8-15(17)18)9-7-14(12)13-5-3-2-4-6-13;/h2-6,12,14H,7-11H2,1H3,(H,17,18);1H
InChIKeyYQCWIPADXUYWTI-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.01
Rot. Bonds4

About 3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride

3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride (PubChem CID 119923167) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride
PubChem CID119923167
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride
SMILESCC1CN(CCC(=O)O)CCC1c1ccccc1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-12-11-16(10-8-15(17)18)9-7-14(12)13-5-3-2-4-6-13;/h2-6,12,14H,7-11H2,1H3,(H,17,18);1H
InChIKeyYQCWIPADXUYWTI-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]butanoic acid
CID 124778661
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane
CID 145118724
3-[3-methyl-4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
CID 57141951
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 66571126
1-butyl-3,4-diphenylpiperidine;hydrochloride
CID 3030420
3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid
CID 125130229
2-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]acetic acid
CID 129434571
1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 111462788
2-(3-amino-4-phenylpiperidin-1-yl)acetic acid
CID 174681284

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride (CID 119923167) is 3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride is CC1CN(CCC(=O)O)CCC1c1ccccc1.Cl.
What is the InChIKey of 3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride?
The InChIKey is YQCWIPADXUYWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-12-11-16(10-8-15(17)18)9-7-14(12)13-5-3-2-4-6-13;/h2-6,12,14H,7-11H2,1H3,(H,17,18);1H.
What are the key properties of 3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride?
3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 119923167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).