(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone

C14H19ClN2O — CID 54905693

IUPAC(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C14H19ClN2O/c1-2-10-5-7-17(8-6-10)14(18)11-3-4-12(15)13(16)9-11/h3-4,9-10H,2,5-8,16H2,1H3
InChIKeyIZUWSIPFHDNTAJ-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.18
Rot. Bonds2

About (3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone

(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 54905693) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID54905693
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C14H19ClN2O/c1-2-10-5-7-17(8-6-10)14(18)11-3-4-12(15)13(16)9-11/h3-4,9-10H,2,5-8,16H2,1H3
InChIKeyIZUWSIPFHDNTAJ-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133119
methyl 1-(3-amino-4-chlorobenzoyl)piperidine-4-carboxylate
CID 61042064
[4-(3-aminoprop-1-ynyl)-3-chlorophenyl]-(4-ethylpiperidin-1-yl)methanone
CID 81294355
(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416770
(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696199
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661
(3-amino-4-chlorophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79175553
(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 61421459
(6-amino-3-chloro-2-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
CID 55041866
(3-amino-4-chlorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60963176
(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61114338
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone (CID 54905693) is (3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)c2ccc(Cl)c(N)c2)CC1.
What is the InChIKey of (3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is IZUWSIPFHDNTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-10-5-7-17(8-6-10)14(18)11-3-4-12(15)13(16)9-11/h3-4,9-10H,2,5-8,16H2,1H3.
What are the key properties of (3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone?
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 266.77 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 54905693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).