1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one

C16H23ClN2O — CID 125146242

IUPAC1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
SMILESC[C@@H](N)[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O/c1-12(18)14-6-4-10-19(11-14)16(20)9-8-13-5-2-3-7-15(13)17/h2-3,5,7,12,14H,4,6,8-11,18H2,1H3/t12-,14-/m1/s1
InChIKeyGMOFEKNKSDFPGA-TZMCWYRMSA-N
MW294.83 g/mol
LogP2.86
Rot. Bonds4

About 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one

1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one (PubChem CID 125146242) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
PubChem CID125146242
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
SMILESC[C@@H](N)[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O/c1-12(18)14-6-4-10-19(11-14)16(20)9-8-13-5-2-3-7-15(13)17/h2-3,5,7,12,14H,4,6,8-11,18H2,1H3/t12-,14-/m1/s1
InChIKeyGMOFEKNKSDFPGA-TZMCWYRMSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one with MolForge

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Related Compounds

3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394
3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93032761
1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-bromo-5-chlorophenyl)propan-1-one
CID 125135434
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;dihydrochloride
CID 119596760
1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2,3-dichlorophenoxy)propan-1-one
CID 125146243
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849723
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849724
[3-(1-aminoethyl)piperidin-1-yl]-[2-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 119595906
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one;hydrochloride
CID 119592777
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone;hydrochloride
CID 119592640
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-4-(2,5-dichlorothiophen-3-yl)butan-1-one
CID 124592375

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one?
The IUPAC name of 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one (CID 125146242) is 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one is C[C@@H](N)[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1.
What is the InChIKey of 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one?
The InChIKey is GMOFEKNKSDFPGA-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(18)14-6-4-10-19(11-14)16(20)9-8-13-5-2-3-7-15(13)17/h2-3,5,7,12,14H,4,6,8-11,18H2,1H3/t12-,14-/m1/s1.
What are the key properties of 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one?
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one has a molecular weight of 294.83 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one is sourced from PubChem (CID 125146242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).