1-[3-(4-bromophenyl)propyl]-3-methylpiperidine

C15H22BrN — CID 175666594

IUPAC1-[3-(4-bromophenyl)propyl]-3-methylpiperidine
SMILESCC1CCCN(CCCc2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrN/c1-13-4-2-10-17(12-13)11-3-5-14-6-8-15(16)9-7-14/h6-9,13H,2-5,10-12H2,1H3
InChIKeyYMCGVBXBEQPLPW-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.11
Rot. Bonds4

About 1-[3-(4-bromophenyl)propyl]-3-methylpiperidine

1-[3-(4-bromophenyl)propyl]-3-methylpiperidine (PubChem CID 175666594) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)propyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)propyl]-3-methylpiperidine
PubChem CID175666594
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name1-[3-(4-bromophenyl)propyl]-3-methylpiperidine
SMILESCC1CCCN(CCCc2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrN/c1-13-4-2-10-17(12-13)11-3-5-14-6-8-15(16)9-7-14/h6-9,13H,2-5,10-12H2,1H3
InChIKeyYMCGVBXBEQPLPW-UHFFFAOYSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine
CID 175666595
1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62617347
(3S)-1-[3-[4-(2,5-dimethylpyrrol-1-yl)-5-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1,2,4-triazol-3-yl]propyl]-3-methylpiperidine
CID 125043694
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
1-butyl-3-methylpiperidine;ethane
CID 143349503
6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine
CID 123807348
[3-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]phenyl]methanamine
CID 142385955
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111229708
3-(4-cyanophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]propanamide
CID 94120959

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)propyl]-3-methylpiperidine?
The IUPAC name of 1-[3-(4-bromophenyl)propyl]-3-methylpiperidine (CID 175666594) is 1-[3-(4-bromophenyl)propyl]-3-methylpiperidine.
What is the SMILES notation for 1-[3-(4-bromophenyl)propyl]-3-methylpiperidine?
The canonical SMILES for 1-[3-(4-bromophenyl)propyl]-3-methylpiperidine is CC1CCCN(CCCc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[3-(4-bromophenyl)propyl]-3-methylpiperidine?
The InChIKey is YMCGVBXBEQPLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-13-4-2-10-17(12-13)11-3-5-14-6-8-15(16)9-7-14/h6-9,13H,2-5,10-12H2,1H3.
What are the key properties of 1-[3-(4-bromophenyl)propyl]-3-methylpiperidine?
1-[3-(4-bromophenyl)propyl]-3-methylpiperidine has a molecular weight of 296.25 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)propyl]-3-methylpiperidine is sourced from PubChem (CID 175666594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).