2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one

C14H19ClN2O — CID 62036312

IUPAC2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)N1CCCC(N)C1
InChIInChI=1S/C14H19ClN2O/c1-10(17-8-2-3-13(16)9-17)14(18)11-4-6-12(15)7-5-11/h4-7,10,13H,2-3,8-9,16H2,1H3
InChIKeyYMUHHWDPRNJLPL-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.33
Rot. Bonds3

About 2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one

2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one (PubChem CID 62036312) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
PubChem CID62036312
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)N1CCCC(N)C1
InChIInChI=1S/C14H19ClN2O/c1-10(17-8-2-3-13(16)9-17)14(18)11-4-6-12(15)7-5-11/h4-7,10,13H,2-3,8-9,16H2,1H3
InChIKeyYMUHHWDPRNJLPL-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one
CID 62037868
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742
2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62068455
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one
CID 79916266
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one
CID 61421542
1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164795
1-(4-chlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 43228352
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106587711
2-(3-hydroxypiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62035237
1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228009
2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 110184706
1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 62037525

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one (CID 62036312) is 2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one is CC(C(=O)c1ccc(Cl)cc1)N1CCCC(N)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one?
The InChIKey is YMUHHWDPRNJLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(17-8-2-3-13(16)9-17)14(18)11-4-6-12(15)7-5-11/h4-7,10,13H,2-3,8-9,16H2,1H3.
What are the key properties of 2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one?
2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one has a molecular weight of 266.77 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one is sourced from PubChem (CID 62036312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).