(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol

C11H14BrNO — CID 59424626

IUPAC(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)7-13-6-5-11(14)8-13/h1-4,11,14H,5-8H2/t11-/m0/s1
InChIKeyPPZFUFKRHOBDAO-NSHDSACASA-N
MW256.14 g/mol
LogP2.02
Rot. Bonds2

About (3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol

(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol (PubChem CID 59424626) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
PubChem CID59424626
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)7-13-6-5-11(14)8-13/h1-4,11,14H,5-8H2/t11-/m0/s1
InChIKeyPPZFUFKRHOBDAO-NSHDSACASA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
CID 129494089
4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 78930300
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267
1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
(3R)-1-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]pyrrolidin-3-ol
CID 156560216
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 78963344

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol (CID 59424626) is (3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol is O[C@H]1CCN(Cc2ccc(Br)cc2)C1.
What is the InChIKey of (3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is PPZFUFKRHOBDAO-NSHDSACASA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)7-13-6-5-11(14)8-13/h1-4,11,14H,5-8H2/t11-/m0/s1.
What are the key properties of (3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol?
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 256.14 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 59424626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).