1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine

C14H20BrClN2 — CID 103815438

IUPAC1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C14H20BrClN2/c1-10(17)11-4-6-18(7-5-11)9-12-8-13(15)2-3-14(12)16/h2-3,8,10-11H,4-7,9,17H2,1H3
InChIKeyNBLYHRWFYLJAEP-UHFFFAOYSA-N
MW331.69 g/mol
LogP3.66
Rot. Bonds3

About 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine

1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 103815438) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine
PubChem CID103815438
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C14H20BrClN2/c1-10(17)11-4-6-18(7-5-11)9-12-8-13(15)2-3-14(12)16/h2-3,8,10-11H,4-7,9,17H2,1H3
InChIKeyNBLYHRWFYLJAEP-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920676
1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine
CID 103815288
1-[(5-bromo-2-chlorophenyl)methyl]azetidine
CID 126992141
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922600
1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine
CID 82773660
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267
1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838218
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine
CID 120838226
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine
CID 63594782
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838225

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine (CID 103815438) is 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(Cc2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is NBLYHRWFYLJAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-10(17)11-4-6-18(7-5-11)9-12-8-13(15)2-3-14(12)16/h2-3,8,10-11H,4-7,9,17H2,1H3.
What are the key properties of 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 331.69 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 103815438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).