(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride

C14H21ClN2O — CID 119741661

IUPAC(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
SMILESCCC1CCN(C(=O)c2cccc(N)c2)CC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-2-11-6-8-16(9-7-11)14(17)12-4-3-5-13(15)10-12;/h3-5,10-11H,2,6-9,15H2,1H3;1H
InChIKeyGIVXHXZUNRFOTK-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.95
Rot. Bonds2

About (3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride

(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 119741661) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
PubChem CID119741661
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
SMILESCCC1CCN(C(=O)c2cccc(N)c2)CC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-2-11-6-8-16(9-7-11)14(17)12-4-3-5-13(15)10-12;/h3-5,10-11H,2,6-9,15H2,1H3;1H
InChIKeyGIVXHXZUNRFOTK-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.95
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-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 119735039
(3-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119875254
(3-aminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119843269
[3-(3-aminoprop-1-ynyl)phenyl]-(4-ethylpiperidin-1-yl)methanone
CID 61422057
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
(3-aminophenyl)-(4-propoxyazepan-1-yl)methanone;hydrochloride
CID 119780021
(3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 119895929
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride (CID 119741661) is (3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride is CCC1CCN(C(=O)c2cccc(N)c2)CC1.Cl.
What is the InChIKey of (3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is GIVXHXZUNRFOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-2-11-6-8-16(9-7-11)14(17)12-4-3-5-13(15)10-12;/h3-5,10-11H,2,6-9,15H2,1H3;1H.
What are the key properties of (3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride?
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119741661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).