(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone

C13H17ClN2O — CID 114028051

IUPAC(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
SMILESCc1cc(Cl)ccc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C13H17ClN2O/c1-9-8-10(14)2-3-12(9)13(17)16-6-4-11(15)5-7-16/h2-3,8,11H,4-7,15H2,1H3
InChIKeyRLBSPJFEQDGLOC-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.21
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone

(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone (PubChem CID 114028051) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
PubChem CID114028051
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
SMILESCc1cc(Cl)ccc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C13H17ClN2O/c1-9-8-10(14)2-3-12(9)13(17)16-6-4-11(15)5-7-16/h2-3,8,11H,4-7,15H2,1H3
InChIKeyRLBSPJFEQDGLOC-UHFFFAOYSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone
CID 110464956
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
(4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103781423
[4-(1-bromoethyl)piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone
CID 114028204
(4-chloro-2-methylphenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 113351170
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
[4-(4-chloro-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 86814208
[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone
CID 82883937
(4-chloro-2-methylphenyl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 122145539
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
[(3R)-3-aminopyrrolidin-1-yl]-(4-bromo-2-methylphenyl)methanone
CID 81470129
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone (CID 114028051) is (4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone is Cc1cc(Cl)ccc1C(=O)N1CCC(N)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone?
The InChIKey is RLBSPJFEQDGLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-8-10(14)2-3-12(9)13(17)16-6-4-11(15)5-7-16/h2-3,8,11H,4-7,15H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone?
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone has a molecular weight of 252.74 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone is sourced from PubChem (CID 114028051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).