1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride

C14H21BrClNOS — CID 19817104

IUPAC1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(CSc1ccc(Br)cc1)CN1CCCCC1
InChIInChI=1S/C14H20BrNOS.ClH/c15-12-4-6-14(7-5-12)18-11-13(17)10-16-8-2-1-3-9-16;/h4-7,13,17H,1-3,8-11H2;1H
InChIKeyWWPKYAJZOZTWSW-UHFFFAOYSA-N
MW366.75 g/mol
LogP3.81
Rot. Bonds5

About 1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride

1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 19817104) has the molecular formula C14H21BrClNOS and a molecular weight of 366.75 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride
PubChem CID19817104
Molecular FormulaC14H21BrClNOS
Molecular Weight366.75 g/mol
Exact Mass365.02
IUPAC Name1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(CSc1ccc(Br)cc1)CN1CCCCC1
InChIInChI=1S/C14H20BrNOS.ClH/c15-12-4-6-14(7-5-12)18-11-13(17)10-16-8-2-1-3-9-16;/h4-7,13,17H,1-3,8-11H2;1H
InChIKeyWWPKYAJZOZTWSW-UHFFFAOYSA-N
XLogP3.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.75
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperidin-1-yl)-3-(4-bromophenyl)sulfanylpropan-2-ol;hydrochloride
CID 19817115
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729373
1-[2-(4-bromophenoxy)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 12005912
1-(4-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53352692
2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
CID 16643571
1-(4-bromophenyl)sulfanyl-3-(cyclopropylamino)propan-2-ol
CID 43345398
(1S,2R)-3-(azepan-1-yl)-1-(4-bromophenyl)-2-phenylpropan-1-ol
CID 31196420
1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-3-naphthalen-2-ylsulfanylpropan-2-ol
CID 67718397
1-(4-bromophenyl)sulfanyl-3-(oxan-4-yl)propan-2-ol
CID 66054289
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-(4-bromophenyl)sulfanylundecan-2-ol
CID 66054287

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride (CID 19817104) is 1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride is Cl.OC(CSc1ccc(Br)cc1)CN1CCCCC1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is WWPKYAJZOZTWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS.ClH/c15-12-4-6-14(7-5-12)18-11-13(17)10-16-8-2-1-3-9-16;/h4-7,13,17H,1-3,8-11H2;1H.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride?
1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 366.75 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-piperidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 19817104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).