1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol

C14H20BrNO — CID 103657050

IUPAC1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrNO/c1-11(17)13-6-8-16(9-7-13)10-12-2-4-14(15)5-3-12/h2-5,11,13,17H,6-10H2,1H3
InChIKeyDOCYTNFUKFLGMO-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.04
Rot. Bonds3

About 1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol

1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol (PubChem CID 103657050) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
PubChem CID103657050
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrNO/c1-11(17)13-6-8-16(9-7-13)10-12-2-4-14(15)5-3-12/h2-5,11,13,17H,6-10H2,1H3
InChIKeyDOCYTNFUKFLGMO-UHFFFAOYSA-N
XLogP3.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 106836390
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103657157
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
4-[4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 106837442
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983268
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol
CID 103656926
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
1-[1-[(3-amino-4-bromophenyl)methyl]pyrrolidin-3-yl]ethanol
CID 112624535

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol (CID 103657050) is 1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol?
The InChIKey is DOCYTNFUKFLGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11(17)13-6-8-16(9-7-13)10-12-2-4-14(15)5-3-12/h2-5,11,13,17H,6-10H2,1H3.
What are the key properties of 1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol?
1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol has a molecular weight of 298.22 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 103657050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).