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

C15H22BrClN2 — CID 82773660

IUPAC1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C15H22BrClN2/c1-10(18)12-5-7-19(8-6-12)11(2)14-4-3-13(16)9-15(14)17/h3-4,9-12H,5-8,18H2,1-2H3
InChIKeyNALHISIFVNUQKS-UHFFFAOYSA-N
MW345.71 g/mol
LogP4.22
Rot. Bonds3

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

1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine (PubChem CID 82773660) has the molecular formula C15H22BrClN2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine
PubChem CID82773660
Molecular FormulaC15H22BrClN2
Molecular Weight345.71 g/mol
Exact Mass344.07
IUPAC Name1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C15H22BrClN2/c1-10(18)12-5-7-19(8-6-12)11(2)14-4-3-13(16)9-15(14)17/h3-4,9-12H,5-8,18H2,1-2H3
InChIKeyNALHISIFVNUQKS-UHFFFAOYSA-N
XLogP4.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 82778922
1-[1-[1-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630096
1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine
CID 82773468
2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494603
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 103815438
1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920985
1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595473
1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502648
2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82774438
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338
8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82773880
1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82970687

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine (CID 82773660) is 1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(C(C)c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine?
The InChIKey is NALHISIFVNUQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2/c1-10(18)12-5-7-19(8-6-12)11(2)14-4-3-13(16)9-15(14)17/h3-4,9-12H,5-8,18H2,1-2H3.
What are the key properties of 1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine?
1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine has a molecular weight of 345.71 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 82773660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).