4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid

C17H24N2O2 — CID 174804524

IUPAC4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid
SMILESCC(N[C@@H]1C[C@H]1c1ccccc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C17H24N2O2/c1-12(13-7-9-19(10-8-13)17(20)21)18-16-11-15(16)14-5-3-2-4-6-14/h2-6,12-13,15-16,18H,7-11H2,1H3,(H,20,21)/t12?,15-,16+/m0/s1
InChIKeyDBCVKHPZQAXLOF-FFPFEORLSA-N
MW288.39 g/mol
LogP2.91
Rot. Bonds4

About 4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid

4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid (PubChem CID 174804524) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid
PubChem CID174804524
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid
SMILESCC(N[C@@H]1C[C@H]1c1ccccc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C17H24N2O2/c1-12(13-7-9-19(10-8-13)17(20)21)18-16-11-15(16)14-5-3-2-4-6-14/h2-6,12-13,15-16,18H,7-11H2,1H3,(H,20,21)/t12?,15-,16+/m0/s1
InChIKeyDBCVKHPZQAXLOF-FFPFEORLSA-N
XLogP2.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 167856974
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
2-methyl-3-oxo-3-[(2-phenylcyclopropyl)amino]propanoic acid
CID 114898248
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
2-[(2-phenylcyclopropyl)amino]butanamide
CID 62901755
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438789
4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylic acid
CID 137422500
1-(4-ethylpiperazin-1-yl)-2-[(2-phenylcyclopropyl)amino]ethanone
CID 66978917
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride
CID 67378904

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid (CID 174804524) is 4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid is CC(N[C@@H]1C[C@H]1c1ccccc1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid?
The InChIKey is DBCVKHPZQAXLOF-FFPFEORLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(13-7-9-19(10-8-13)17(20)21)18-16-11-15(16)14-5-3-2-4-6-14/h2-6,12-13,15-16,18H,7-11H2,1H3,(H,20,21)/t12?,15-,16+/m0/s1.
What are the key properties of 4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid?
4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(1R,2S)-2-phenylcyclopropyl]amino]ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174804524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).