1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide

C14H20ClN3O — CID 78936080

IUPAC1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide
SMILESC[C@@H](N)c1ccc(N2CCCC(C(N)=O)C2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-9(16)10-4-5-13(12(15)7-10)18-6-2-3-11(8-18)14(17)19/h4-5,7,9,11H,2-3,6,8,16H2,1H3,(H2,17,19)/t9-,11?/m1/s1
InChIKeyFJSMGPMLXDMSPI-BFHBGLAWSA-N
MW281.79 g/mol
LogP2.06
Rot. Bonds3

About 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide

1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide (PubChem CID 78936080) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide
PubChem CID78936080
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide
SMILESC[C@@H](N)c1ccc(N2CCCC(C(N)=O)C2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-9(16)10-4-5-13(12(15)7-10)18-6-2-3-11(8-18)14(17)19/h4-5,7,9,11H,2-3,6,8,16H2,1H3,(H2,17,19)/t9-,11?/m1/s1
InChIKeyFJSMGPMLXDMSPI-BFHBGLAWSA-N
XLogP2.06
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103196348
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
CID 78936049
(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196759
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
CID 78935941
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196369
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
1-[4-(1-hydroxyethyl)-2-nitrophenyl]piperidine-3-carboxamide
CID 43505870
1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 62909542
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide
CID 43188807

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide (CID 78936080) is 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide is C[C@@H](N)c1ccc(N2CCCC(C(N)=O)C2)c(Cl)c1.
What is the InChIKey of 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide?
The InChIKey is FJSMGPMLXDMSPI-BFHBGLAWSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9(16)10-4-5-13(12(15)7-10)18-6-2-3-11(8-18)14(17)19/h4-5,7,9,11H,2-3,6,8,16H2,1H3,(H2,17,19)/t9-,11?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide?
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide is sourced from PubChem (CID 78936080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).