[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone

C15H21ClN2O — CID 106862126

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCCC2C(C)N)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-6-7-12(13(16)9-10)15(19)18-8-4-3-5-14(18)11(2)17/h6-7,9,11,14H,3-5,8,17H2,1-2H3
InChIKeyVFBZHGIRAAUSLS-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.99
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone (PubChem CID 106862126) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
PubChem CID106862126
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCCC2C(C)N)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-6-7-12(13(16)9-10)15(19)18-8-4-3-5-14(18)11(2)17/h6-7,9,11,14H,3-5,8,17H2,1-2H3
InChIKeyVFBZHGIRAAUSLS-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-iodophenyl)methanone
CID 119435609
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 63255328
[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66483593
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 119436569
[2-(1-aminoethyl)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone;hydrochloride
CID 119436502
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dichloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119435727
[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610
1-(2-chloro-4-methylbenzoyl)pyrrolidine-2-carbothioamide
CID 106861306
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-methylphenyl)methanone;hydrochloride
CID 119435193
1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 106861332
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone (CID 106862126) is [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCCC2C(C)N)c(Cl)c1.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone?
The InChIKey is VFBZHGIRAAUSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-6-7-12(13(16)9-10)15(19)18-8-4-3-5-14(18)11(2)17/h6-7,9,11,14H,3-5,8,17H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone has a molecular weight of 280.80 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 106862126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).