(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C15H21ClN2O — CID 80551547

IUPAC(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O/c1-2-17-11-12-6-8-18(9-7-12)15(19)13-4-3-5-14(16)10-13/h3-5,10,12,17H,2,6-9,11H2,1H3
InChIKeyZYIZZJUJYPHEHF-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.80
Rot. Bonds4

About (3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 80551547) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID80551547
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O/c1-2-17-11-12-6-8-18(9-7-12)15(19)13-4-3-5-14(16)10-13/h3-5,10,12,17H,2,6-9,11H2,1H3
InChIKeyZYIZZJUJYPHEHF-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
[3-[(4-chlorophenyl)methoxy]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647252
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119646571
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 80552385
(3-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 142181487
[4-(ethylaminomethyl)piperidin-1-yl]-(3-nitrophenyl)methanone;hydrochloride
CID 119648091
[4-(ethylaminomethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119647439
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
[4-(ethylaminomethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 119647438
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 80551547) is (3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is ZYIZZJUJYPHEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-17-11-12-6-8-18(9-7-12)15(19)13-4-3-5-14(16)10-13/h3-5,10,12,17H,2,6-9,11H2,1H3.
What are the key properties of (3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 280.80 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 80551547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).