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

C19H28BrClN2O — CID 119519076

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1.Cl
InChIInChI=1S/C19H27BrN2O.ClH/c1-14(21)15-8-12-22(13-9-15)18(23)19(10-2-3-11-19)16-4-6-17(20)7-5-16;/h4-7,14-15H,2-3,8-13,21H2,1H3;1H
InChIKeyBISPYJQYCYXJNS-UHFFFAOYSA-N
MW415.80 g/mol
LogP4.27
Rot. Bonds3

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

[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride (PubChem CID 119519076) has the molecular formula C19H28BrClN2O and a molecular weight of 415.80 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride
PubChem CID119519076
Molecular FormulaC19H28BrClN2O
Molecular Weight415.80 g/mol
Exact Mass414.11
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1.Cl
InChIInChI=1S/C19H27BrN2O.ClH/c1-14(21)15-8-12-22(13-9-15)18(23)19(10-2-3-11-19)16-4-6-17(20)7-5-16;/h4-7,14-15H,2-3,8-13,21H2,1H3;1H
InChIKeyBISPYJQYCYXJNS-UHFFFAOYSA-N
XLogP4.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.80
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562761
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone;hydrochloride
CID 119517548
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119375609
[4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119517732
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119519335
[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 55555458
[1-(4-bromophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562680
2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
CID 119177843
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylcyclopentyl)methanone;hydrochloride
CID 119520786
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride (CID 119519076) is [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride is CC(N)C1CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride?
The InChIKey is BISPYJQYCYXJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O.ClH/c1-14(21)15-8-12-22(13-9-15)18(23)19(10-2-3-11-19)16-4-6-17(20)7-5-16;/h4-7,14-15H,2-3,8-13,21H2,1H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride has a molecular weight of 415.80 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride is sourced from PubChem (CID 119519076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).