1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol

C16H24BrNO2 — CID 62619008

IUPAC1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
SMILESOCCCC1CCCN1CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO2/c17-14-7-5-13(6-8-14)16(20)9-11-18-10-1-3-15(18)4-2-12-19/h5-8,15-16,19-20H,1-4,9-12H2
InChIKeyDABONFSWWRKEDA-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.11
Rot. Bonds7

About 1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol

1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol (PubChem CID 62619008) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
PubChem CID62619008
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
SMILESOCCCC1CCCN1CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO2/c17-14-7-5-13(6-8-14)16(20)9-11-18-10-1-3-15(18)4-2-12-19/h5-8,15-16,19-20H,1-4,9-12H2
InChIKeyDABONFSWWRKEDA-UHFFFAOYSA-N
XLogP3.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
CID 62619666
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 62619330
1-(2-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
CID 62631035
3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-1-ol
CID 111103021
1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 62617437
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257
3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 111116526
1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 82135943
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 62645441
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol (CID 62619008) is 1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol is OCCCC1CCCN1CCC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol?
The InChIKey is DABONFSWWRKEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c17-14-7-5-13(6-8-14)16(20)9-11-18-10-1-3-15(18)4-2-12-19/h5-8,15-16,19-20H,1-4,9-12H2.
What are the key properties of 1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol?
1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol has a molecular weight of 342.28 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 62619008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).