(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone

C15H21ClN2O — CID 106862298

IUPAC(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(C)cc2Cl)CCC1N
InChIInChI=1S/C15H21ClN2O/c1-3-11-9-18(7-6-14(11)17)15(19)12-5-4-10(2)8-13(12)16/h4-5,8,11,14H,3,6-7,9,17H2,1-2H3
InChIKeyZRMZZVXGEJYAPL-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.85
Rot. Bonds2

About (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone

(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone (PubChem CID 106862298) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone
PubChem CID106862298
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(C)cc2Cl)CCC1N
InChIInChI=1S/C15H21ClN2O/c1-3-11-9-18(7-6-14(11)17)15(19)12-5-4-10(2)8-13(12)16/h4-5,8,11,14H,3,6-7,9,17H2,1-2H3
InChIKeyZRMZZVXGEJYAPL-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
CID 106499980
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823
(2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106864067
(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106688582
3-[1-(2-chloro-4-methylbenzoyl)pyrrolidin-3-yl]propanoic acid
CID 106860665
1-(2-chloro-4-methylbenzoyl)piperidine-4-carbothioamide
CID 106861309
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
(4-amino-2-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113267297
(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 81457202
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088
2-[1-(2-chloro-4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 106860599
[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106863992

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone?
The IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone (CID 106862298) is (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone.
What is the SMILES notation for (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone?
The canonical SMILES for (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone is CCC1CN(C(=O)c2ccc(C)cc2Cl)CCC1N.
What is the InChIKey of (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone?
The InChIKey is ZRMZZVXGEJYAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-11-9-18(7-6-14(11)17)15(19)12-5-4-10(2)8-13(12)16/h4-5,8,11,14H,3,6-7,9,17H2,1-2H3.
What are the key properties of (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone?
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone has a molecular weight of 280.80 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethylpiperidin-1-yl)-(2-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 106862298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).