[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone

C15H21ClN2O — CID 107098180

IUPAC[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)N1CCCCC1CCN
InChIInChI=1S/C15H21ClN2O/c1-11-13(6-4-7-14(11)16)15(19)18-10-3-2-5-12(18)8-9-17/h4,6-7,12H,2-3,5,8-10,17H2,1H3
InChIKeyNJMKMVJOSZSKTK-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.99
Rot. Bonds3

About [2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone

[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone (PubChem CID 107098180) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is [2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
PubChem CID107098180
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)N1CCCCC1CCN
InChIInChI=1S/C15H21ClN2O/c1-11-13(6-4-7-14(11)16)15(19)18-10-3-2-5-12(18)8-9-17/h4,6-7,12H,2-3,5,8-10,17H2,1H3
InChIKeyNJMKMVJOSZSKTK-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

(3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 107098111
(3-chloro-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107097816
[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345040
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
[2-(aminomethyl)azepan-1-yl]-(2,3-dimethylphenyl)methanone
CID 116640061
[2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956136
[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63394055
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 124513776
1-(3-chloro-2-methylbenzoyl)piperidine-2-carbothioamide
CID 107096844
[2-(chloromethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830458
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 63755916

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone?
The IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone (CID 107098180) is [2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone?
The canonical SMILES for [2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone is Cc1c(Cl)cccc1C(=O)N1CCCCC1CCN.
What is the InChIKey of [2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone?
The InChIKey is NJMKMVJOSZSKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-13(6-4-7-14(11)16)15(19)18-10-3-2-5-12(18)8-9-17/h4,6-7,12H,2-3,5,8-10,17H2,1H3.
What are the key properties of [2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone?
[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone has a molecular weight of 280.80 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone is sourced from PubChem (CID 107098180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).