1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine

C14H19BrClN — CID 63388518

IUPAC1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine
SMILESClCCC1CCCN(Cc2ccccc2Br)C1
InChIInChI=1S/C14H19BrClN/c15-14-6-2-1-5-13(14)11-17-9-3-4-12(10-17)7-8-16/h1-2,5-6,12H,3-4,7-11H2
InChIKeyDHSJDEWTBFPEIJ-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.29
Rot. Bonds4

About 1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine

1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine (PubChem CID 63388518) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine
PubChem CID63388518
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC Name1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine
SMILESClCCC1CCCN(Cc2ccccc2Br)C1
InChIInChI=1S/C14H19BrClN/c15-14-6-2-1-5-13(14)11-17-9-3-4-12(10-17)7-8-16/h1-2,5-6,12H,3-4,7-11H2
InChIKeyDHSJDEWTBFPEIJ-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)pyrrolidine
CID 114800506
2-[1-[(2-bromophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728391
3-(bromomethyl)-1-[(2-bromophenyl)methyl]piperidine
CID 80679308
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915654
1-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-chloroethyl)piperidine
CID 65326785
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438
3-bromo-1-[(2-bromophenyl)methyl]piperidine
CID 80679518
3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine
CID 112654364
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
1-[(2-bromophenyl)methyl]piperidine-3-carbaldehyde
CID 62662381
(3R)-1-benzyl-3-(3-chloropropyl)piperidine
CID 97166703

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine (CID 63388518) is 1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine is ClCCC1CCCN(Cc2ccccc2Br)C1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine?
The InChIKey is DHSJDEWTBFPEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c15-14-6-2-1-5-13(14)11-17-9-3-4-12(10-17)7-8-16/h1-2,5-6,12H,3-4,7-11H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine?
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine has a molecular weight of 316.67 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine is sourced from PubChem (CID 63388518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).