(3-benzylpyrrolidin-3-yl)methanol

C12H17NO — CID 66059435

IUPAC(3-benzylpyrrolidin-3-yl)methanol
SMILESOCC1(Cc2ccccc2)CCNC1
InChIInChI=1S/C12H17NO/c14-10-12(6-7-13-9-12)8-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKeyZDDYYFFDCHUYMD-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.20
Rot. Bonds3

About (3-benzylpyrrolidin-3-yl)methanol

(3-benzylpyrrolidin-3-yl)methanol (PubChem CID 66059435) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3-benzylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(3-benzylpyrrolidin-3-yl)methanol
PubChem CID66059435
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3-benzylpyrrolidin-3-yl)methanol
SMILESOCC1(Cc2ccccc2)CCNC1
InChIInChI=1S/C12H17NO/c14-10-12(6-7-13-9-12)8-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKeyZDDYYFFDCHUYMD-UHFFFAOYSA-N
XLogP1.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenylpiperidine-4-methanol
CID 77896
Benzenepentanol, delta-amino-
CID 99992
(4-Benzyl-1-methylpiperidin-4-yl)methanol
CID 16191162
2-((2R,4R,Z)-3-benzylidene-4-methylpyrrolidin-2-yl)ethanol
CID 44825446
(3R,5R)-5-[(4-octylphenyl)methyl]pyrrolidin-3-ol
CID 145980599
3-Amino-2-benzylpropan-1-ol
CID 12420872
[1-(2-Phenylethyl)pyrrolidin-3-yl]methanol
CID 22243246
rac-((3R,4R)-4-phenylpiperidin-3-yl)methanol
CID 59978001
2-((2R,4S,Z)-3-benzylidene-4-methylpyrrolidin-2-yl)ethanol
CID 44825381
2-((2S,4R,Z)-3-benzylidene-4-methylpyrrolidin-2-yl)ethanol
CID 44825386
(2R,3R,4R)-2-(3-phenylpropyl)pyrrolidine-3,4-diol;hydrochloride
CID 168276808
(2S,3S,4S)-2-(3-phenylpropyl)pyrrolidine-3,4-diol;hydrochloride
CID 168280122

Frequently Asked Questions

What is the IUPAC name of (3-benzylpyrrolidin-3-yl)methanol?
The IUPAC name of (3-benzylpyrrolidin-3-yl)methanol (CID 66059435) is (3-benzylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (3-benzylpyrrolidin-3-yl)methanol?
The canonical SMILES for (3-benzylpyrrolidin-3-yl)methanol is OCC1(Cc2ccccc2)CCNC1.
What is the InChIKey of (3-benzylpyrrolidin-3-yl)methanol?
The InChIKey is ZDDYYFFDCHUYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-10-12(6-7-13-9-12)8-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2.
What are the key properties of (3-benzylpyrrolidin-3-yl)methanol?
(3-benzylpyrrolidin-3-yl)methanol has a molecular weight of 191.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 66059435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).