2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone

C17H25ClN2O — CID 63241822

IUPAC2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC(C)NCC1CCCN(C(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-13(2)19-11-15-4-3-9-20(12-15)17(21)10-14-5-7-16(18)8-6-14/h5-8,13,15,19H,3-4,9-12H2,1-2H3
InChIKeyCLFSDHSFISEFOZ-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.12
Rot. Bonds5

About 2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone

2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone (PubChem CID 63241822) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
PubChem CID63241822
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC(C)NCC1CCCN(C(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-13(2)19-11-15-4-3-9-20(12-15)17(21)10-14-5-7-16(18)8-6-14/h5-8,13,15,19H,3-4,9-12H2,1-2H3
InChIKeyCLFSDHSFISEFOZ-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241729
3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241645
2-cyclopentyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241290
1-[(4-chlorophenyl)methyl]-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]urea
CID 119396282
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
1-(3-aminopyrrolidin-1-yl)-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119483085
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119934564
2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241326
2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241143
(5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 79095324
2-(3-bromo-4-fluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119397501

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone (CID 63241822) is 2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone is CC(C)NCC1CCCN(C(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The InChIKey is CLFSDHSFISEFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-13(2)19-11-15-4-3-9-20(12-15)17(21)10-14-5-7-16(18)8-6-14/h5-8,13,15,19H,3-4,9-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone has a molecular weight of 308.85 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 63241822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).