1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide

C14H21N3O — CID 78935941

IUPAC1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
SMILESC[C@H](N)c1ccccc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H21N3O/c1-10(15)12-6-2-3-7-13(12)17-8-4-5-11(9-17)14(16)18/h2-3,6-7,10-11H,4-5,8-9,15H2,1H3,(H2,16,18)/t10-,11?/m0/s1
InChIKeyIQCBZRNEZMRUHU-VUWPPUDQSA-N
MW247.34 g/mol
LogP1.41
Rot. Bonds3

About 1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide

1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide (PubChem CID 78935941) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
PubChem CID78935941
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
SMILESC[C@H](N)c1ccccc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H21N3O/c1-10(15)12-6-2-3-7-13(12)17-8-4-5-11(9-17)14(16)18/h2-3,6-7,10-11H,4-5,8-9,15H2,1H3,(H2,16,18)/t10-,11?/m0/s1
InChIKeyIQCBZRNEZMRUHU-VUWPPUDQSA-N
XLogP1.41
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide
CID 78936080
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
CID 78936049
1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 61224430
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanamine
CID 115560215
1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine
CID 54989682
1-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 117008259
1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 117008187
1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide
CID 43280219
1-(2,6-diethylphenyl)piperidine-3-carboxamide
CID 117008267
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide
CID 79603233

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide (CID 78935941) is 1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide is C[C@H](N)c1ccccc1N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide?
The InChIKey is IQCBZRNEZMRUHU-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(15)12-6-2-3-7-13(12)17-8-4-5-11(9-17)14(16)18/h2-3,6-7,10-11H,4-5,8-9,15H2,1H3,(H2,16,18)/t10-,11?/m0/s1.
What are the key properties of 1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide?
1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 78935941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).