2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine

C15H20BrN — CID 117474630

IUPAC2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
SMILESBrc1cc(CC2CCCCN2)ccc1C1CC1
InChIInChI=1S/C15H20BrN/c16-15-10-11(4-7-14(15)12-5-6-12)9-13-3-1-2-8-17-13/h4,7,10,12-13,17H,1-3,5-6,8-9H2
InChIKeyUVRDATLHQMGQJV-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.01
Rot. Bonds3

About 2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine

2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine (PubChem CID 117474630) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
PubChem CID117474630
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
SMILESBrc1cc(CC2CCCCN2)ccc1C1CC1
InChIInChI=1S/C15H20BrN/c16-15-10-11(4-7-14(15)12-5-6-12)9-13-3-1-2-8-17-13/h4,7,10,12-13,17H,1-3,5-6,8-9H2
InChIKeyUVRDATLHQMGQJV-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 84815306
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
2-[[3-bromo-4-(1-fluoroethyl)phenyl]methyl]pyrrolidine
CID 117461346
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117474628

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine?
The IUPAC name of 2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine (CID 117474630) is 2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine is Brc1cc(CC2CCCCN2)ccc1C1CC1.
What is the InChIKey of 2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine?
The InChIKey is UVRDATLHQMGQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c16-15-10-11(4-7-14(15)12-5-6-12)9-13-3-1-2-8-17-13/h4,7,10,12-13,17H,1-3,5-6,8-9H2.
What are the key properties of 2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine?
2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine has a molecular weight of 294.24 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine is sourced from PubChem (CID 117474630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).