1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

C16H23BrN2O — CID 170554897

IUPAC1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESOC1(CN2CCCC2)CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H23BrN2O/c17-14-3-5-15(6-4-14)19-11-7-16(20,8-12-19)13-18-9-1-2-10-18/h3-6,20H,1-2,7-13H2
InChIKeyALFFDKWHRWXLJZ-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (PubChem CID 170554897) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
PubChem CID170554897
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESOC1(CN2CCCC2)CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H23BrN2O/c17-14-3-5-15(6-4-14)19-11-7-16(20,8-12-19)13-18-9-1-2-10-18/h3-6,20H,1-2,7-13H2
InChIKeyALFFDKWHRWXLJZ-UHFFFAOYSA-N
XLogP2.88
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol
CID 115052226
[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 132770902
6-(4-bromophenyl)-1-oxa-6-azaspiro[2.5]octane
CID 162742042
[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine
CID 115052415
2-[1-(4-bromophenyl)-3-hydroxypiperidin-3-yl]acetic acid
CID 117002654
2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
CID 82124353
[1-(4-bromophenyl)-4-(fluoromethyl)piperidin-4-yl]methanamine
CID 115053451
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
2-hydroxy-1-[(4R)-4-hydroxy-4-[(4-phenylpiperazin-1-yl)methyl]azepan-1-yl]ethanone
CID 124999720
4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol
CID 60893357
1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol
CID 3817664
1-acetyl-4-[(4-hydroxy-1-phenylpiperidin-4-yl)methyl]-1,4-diazepane-6-carboxylic acid
CID 132771183

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (CID 170554897) is 1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is OC1(CN2CCCC2)CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The InChIKey is ALFFDKWHRWXLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c17-14-3-5-15(6-4-14)19-11-7-16(20,8-12-19)13-18-9-1-2-10-18/h3-6,20H,1-2,7-13H2.
What are the key properties of 1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol has a molecular weight of 339.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 170554897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).