[3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride

C14H19BrCl2N2O — CID 120727640

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
SMILESCl.NCCC1CCCN(C(=O)c2cc(Cl)ccc2Br)C1
InChIInChI=1S/C14H18BrClN2O.ClH/c15-13-4-3-11(16)8-12(13)14(19)18-7-1-2-10(9-18)5-6-17;/h3-4,8,10H,1-2,5-7,9,17H2;1H
InChIKeyHSLPGOXFIGNUHO-UHFFFAOYSA-N
MW382.13 g/mol
LogP3.73
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride

[3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride (PubChem CID 120727640) has the molecular formula C14H19BrCl2N2O and a molecular weight of 382.13 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
PubChem CID120727640
Molecular FormulaC14H19BrCl2N2O
Molecular Weight382.13 g/mol
Exact Mass380.01
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
SMILESCl.NCCC1CCCN(C(=O)c2cc(Cl)ccc2Br)C1
InChIInChI=1S/C14H18BrClN2O.ClH/c15-13-4-3-11(16)8-12(13)14(19)18-7-1-2-10(9-18)5-6-17;/h3-4,8,10H,1-2,5-7,9,17H2;1H
InChIKeyHSLPGOXFIGNUHO-UHFFFAOYSA-N
XLogP3.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.13
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-chlorophenyl)-[3-(2-chloroethyl)piperidin-1-yl]methanone
CID 107993644
(2-amino-5-chlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209681
[3-(2-bromoethyl)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 80668613
(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371472
(5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209671
[3-(2-aminoethyl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 120727748
(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372699
[3-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 114021489
[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride
CID 120727628
[3-(2-aminoethyl)piperidin-1-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771490
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119464843
3-[(3S)-1-(5-chloro-2-iodobenzoyl)piperidin-3-yl]propanamide
CID 52877022

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride (CID 120727640) is [3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride is Cl.NCCC1CCCN(C(=O)c2cc(Cl)ccc2Br)C1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride?
The InChIKey is HSLPGOXFIGNUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O.ClH/c15-13-4-3-11(16)8-12(13)14(19)18-7-1-2-10(9-18)5-6-17;/h3-4,8,10H,1-2,5-7,9,17H2;1H.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride?
[3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride has a molecular weight of 382.13 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride is sourced from PubChem (CID 120727640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).