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

C14H18BrClN2O — CID 63255328

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H18BrClN2O/c1-9(17)13-4-2-3-7-18(13)14(19)11-8-10(15)5-6-12(11)16/h5-6,8-9,13H,2-4,7,17H2,1H3
InChIKeyFAZPBVSVNXAOLF-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.44
Rot. Bonds2

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

[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone (PubChem CID 63255328) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
PubChem CID63255328
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H18BrClN2O/c1-9(17)13-4-2-3-7-18(13)14(19)11-8-10(15)5-6-12(11)16/h5-6,8-9,13H,2-4,7,17H2,1H3
InChIKeyFAZPBVSVNXAOLF-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-methylphenyl)methanone;hydrochloride
CID 119435193
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
CID 119435814
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 119436569
[2-(1-aminoethyl)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone;hydrochloride
CID 119436502
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-iodophenyl)methanone
CID 119435609
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dichloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119435727
[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(2-bromo-5-methylthiophen-3-yl)methanone
CID 125134854
N-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-chlorophenyl]-3-methylbutanamide;hydrochloride
CID 119435206
[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66483593
(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
CID 79034416

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone (CID 63255328) is [2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone is CC(N)C1CCCCN1C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone?
The InChIKey is FAZPBVSVNXAOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-9(17)13-4-2-3-7-18(13)14(19)11-8-10(15)5-6-12(11)16/h5-6,8-9,13H,2-4,7,17H2,1H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone has a molecular weight of 345.67 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone is sourced from PubChem (CID 63255328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).