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

C15H20BrN — CID 84815306

IUPAC3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
SMILESBrc1cc(CC2CCCNC2)ccc1C1CC1
InChIInChI=1S/C15H20BrN/c16-15-9-11(3-6-14(15)13-4-5-13)8-12-2-1-7-17-10-12/h3,6,9,12-13,17H,1-2,4-5,7-8,10H2
InChIKeyVISOMENKJNZFTH-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.87
Rot. Bonds3

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

3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine (PubChem CID 84815306) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
PubChem CID84815306
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
SMILESBrc1cc(CC2CCCNC2)ccc1C1CC1
InChIInChI=1S/C15H20BrN/c16-15-9-11(3-6-14(15)13-4-5-13)8-12-2-1-7-17-10-12/h3,6,9,12-13,17H,1-2,4-5,7-8,10H2
InChIKeyVISOMENKJNZFTH-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-bromo-4-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117496154
3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
CID 117485752
2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 117474630
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine
CID 117498825
3-[(3-bromo-4-fluoro-5-methoxyphenyl)methyl]piperidine
CID 117486667

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine?
The IUPAC name of 3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine (CID 84815306) is 3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine is Brc1cc(CC2CCCNC2)ccc1C1CC1.
What is the InChIKey of 3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine?
The InChIKey is VISOMENKJNZFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c16-15-9-11(3-6-14(15)13-4-5-13)8-12-2-1-7-17-10-12/h3,6,9,12-13,17H,1-2,4-5,7-8,10H2.
What are the key properties of 3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine?
3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine has a molecular weight of 294.24 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine is sourced from PubChem (CID 84815306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).