[1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol

C14H20BrNO — CID 117024971

IUPAC[1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol
SMILESCC1(C)CN(c2cccc(Br)c2)CCC1CO
InChIInChI=1S/C14H20BrNO/c1-14(2)10-16(7-6-11(14)9-17)13-5-3-4-12(15)8-13/h3-5,8,11,17H,6-7,9-10H2,1-2H3
InChIKeyXKRFPLIXVUEODN-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.29
Rot. Bonds2

About [1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol

[1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol (PubChem CID 117024971) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is [1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol
PubChem CID117024971
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name[1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol
SMILESCC1(C)CN(c2cccc(Br)c2)CCC1CO
InChIInChI=1S/C14H20BrNO/c1-14(2)10-16(7-6-11(14)9-17)13-5-3-4-12(15)8-13/h3-5,8,11,17H,6-7,9-10H2,1-2H3
InChIKeyXKRFPLIXVUEODN-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024959
1-(3-bromophenyl)-3,3-dimethylpiperidine-4-carbonitrile
CID 117024554
[1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024942
2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024701
[1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012425
[4-(3-bromophenyl)-1,6,6-trimethyl-1,4-diazepan-2-yl]methanol
CID 84608336
2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024708
1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine
CID 64926247
[1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020724
2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine
CID 117024822
2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
CID 83981690
2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
CID 117024761

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol?
The IUPAC name of [1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol (CID 117024971) is [1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol is CC1(C)CN(c2cccc(Br)c2)CCC1CO.
What is the InChIKey of [1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol?
The InChIKey is XKRFPLIXVUEODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-14(2)10-16(7-6-11(14)9-17)13-5-3-4-12(15)8-13/h3-5,8,11,17H,6-7,9-10H2,1-2H3.
What are the key properties of [1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol?
[1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol has a molecular weight of 298.22 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol is sourced from PubChem (CID 117024971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).