1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine

C14H20BrN — CID 63457847

IUPAC1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine
SMILESCC1(C)CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C14H20BrN/c1-14(2)6-8-16(9-7-14)11-12-4-3-5-13(15)10-12/h3-5,10H,6-9,11H2,1-2H3
InChIKeyVVVKBPMHKMHEEX-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.07
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine

1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine (PubChem CID 63457847) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine
PubChem CID63457847
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine
SMILESCC1(C)CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C14H20BrN/c1-14(2)6-8-16(9-7-14)11-12-4-3-5-13(15)10-12/h3-5,10H,6-9,11H2,1-2H3
InChIKeyVVVKBPMHKMHEEX-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

Analyze 1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine
CID 86686688
1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 58266760
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 60691696
1-[(3-bromophenyl)methyl]-4-(chloromethyl)piperidine
CID 63387610
N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62930308
1-[(3-bromophenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 60705102
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol
CID 82983068
4-bromo-2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
CID 82979917
1-[(3-bromophenyl)methyl]-3-chloropyrrolidine
CID 63387822
(3S)-1-[(3-bromophenyl)methyl]-3-methoxypyrrolidine
CID 172647705
[1-[(3-bromophenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 75473118

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine (CID 63457847) is 1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine is CC1(C)CCN(Cc2cccc(Br)c2)CC1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine?
The InChIKey is VVVKBPMHKMHEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-14(2)6-8-16(9-7-14)11-12-4-3-5-13(15)10-12/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine?
1-[(3-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-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine is sourced from PubChem (CID 63457847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).