1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine

C14H20BrN — CID 58266760

IUPAC1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
SMILESCC1(C)CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrN/c1-14(2)7-9-16(10-8-14)11-12-3-5-13(15)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyAKLPTUFIYVJZAG-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.07
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine

1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine (PubChem CID 58266760) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
PubChem CID58266760
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
SMILESCC1(C)CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrN/c1-14(2)7-9-16(10-8-14)11-12-3-5-13(15)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyAKLPTUFIYVJZAG-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 63457847
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
1-[(4-bromophenyl)methyl]-4-methylpiperidine-3,4-diol
CID 69106342
N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide
CID 69106865
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine
CID 171337755
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
CID 82979917
4,13-bis[(4-bromophenyl)methyl]-7,16,21,24-tetramethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane
CID 166072778
1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62932000

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine (CID 58266760) is 1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine is CC1(C)CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine?
The InChIKey is AKLPTUFIYVJZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-14(2)7-9-16(10-8-14)11-12-3-5-13(15)6-4-12/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine?
1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine has a molecular weight of 282.22 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine is sourced from PubChem (CID 58266760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).