(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride

C14H21ClN2O2 — CID 162344541

IUPAC(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
SMILESCl.N[C@H](CC(=O)O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H20N2O2.ClH/c15-13(10-14(17)18)11-4-6-12(7-5-11)16-8-2-1-3-9-16;/h4-7,13H,1-3,8-10,15H2,(H,17,18);1H/t13-;/m1./s1
InChIKeyOQFFOCCRGIZGLZ-BTQNPOSSSA-N
MW284.79 g/mol
LogP2.57
Rot. Bonds4

About (3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride

(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride (PubChem CID 162344541) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
PubChem CID162344541
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
SMILESCl.N[C@H](CC(=O)O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H20N2O2.ClH/c15-13(10-14(17)18)11-4-6-12(7-5-11)16-8-2-1-3-9-16;/h4-7,13H,1-3,8-10,15H2,(H,17,18);1H/t13-;/m1./s1
InChIKeyOQFFOCCRGIZGLZ-BTQNPOSSSA-N
XLogP2.57
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398
4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
CID 117410844
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
2-(4-pyrrolidin-1-ylphenyl)butanedioic acid
CID 168515530
(3R)-3-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
CID 131872358
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 82616433
(3S)-3-amino-3-[4-(difluoromethyl)phenyl]propanoic acid
CID 79016031
3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid
CID 117374279
3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 170876139
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid
CID 117379221

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride (CID 162344541) is (3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride is Cl.N[C@H](CC(=O)O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of (3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride?
The InChIKey is OQFFOCCRGIZGLZ-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c15-13(10-14(17)18)11-4-6-12(7-5-11)16-8-2-1-3-9-16;/h4-7,13H,1-3,8-10,15H2,(H,17,18);1H/t13-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride?
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 162344541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).