[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride

C14H20BrClN2O — CID 120727628

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride
SMILESCl.NCCC1CCCN(C(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H19BrN2O.ClH/c15-13-5-3-12(4-6-13)14(18)17-9-1-2-11(10-17)7-8-16;/h3-6,11H,1-2,7-10,16H2;1H
InChIKeyYNERAQJWBJWTJW-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.07
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride

[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride (PubChem CID 120727628) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride
PubChem CID120727628
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride
SMILESCl.NCCC1CCCN(C(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H19BrN2O.ClH/c15-13-5-3-12(4-6-13)14(18)17-9-1-2-11(10-17)7-8-16;/h3-6,11H,1-2,7-10,16H2;1H
InChIKeyYNERAQJWBJWTJW-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
[3-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80661392
[3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63765933
[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone;dihydrochloride
CID 120727734
[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone;dihydrochloride
CID 120727576
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
4-(3-propylpiperidine-1-carbonyl)benzamide
CID 119163399
[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 63765932
[3-(2-aminoethyl)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone;hydrochloride
CID 154891370
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 63766901
(4-bromophenyl)-[3-(2-chloroethyl)pyrrolidin-1-yl]methanone
CID 114801097

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride (CID 120727628) is [3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride is Cl.NCCC1CCCN(C(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride?
The InChIKey is YNERAQJWBJWTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c15-13-5-3-12(4-6-13)14(18)17-9-1-2-11(10-17)7-8-16;/h3-6,11H,1-2,7-10,16H2;1H.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride?
[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 3.07, 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]-(4-bromophenyl)methanone;hydrochloride is sourced from PubChem (CID 120727628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).