(1-benzyl-3-methoxypyrrolidin-3-yl)methanol

C13H19NO2 — CID 19382171

IUPAC(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
SMILESCOC1(CO)CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO2/c1-16-13(11-15)7-8-14(10-13)9-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3
InChIKeyWAKZPTGJJXMJBV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds4

About (1-benzyl-3-methoxypyrrolidin-3-yl)methanol

(1-benzyl-3-methoxypyrrolidin-3-yl)methanol (PubChem CID 19382171) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (1-benzyl-3-methoxypyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
PubChem CID19382171
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
SMILESCOC1(CO)CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO2/c1-16-13(11-15)7-8-14(10-13)9-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3
InChIKeyWAKZPTGJJXMJBV-UHFFFAOYSA-N
XLogP1.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
1-benzyl-3-methoxypyrrolidine-3-carbonitrile
CID 19382157
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 143488487
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 59511336
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
CID 145071819

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-methoxypyrrolidin-3-yl)methanol?
The IUPAC name of (1-benzyl-3-methoxypyrrolidin-3-yl)methanol (CID 19382171) is (1-benzyl-3-methoxypyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-benzyl-3-methoxypyrrolidin-3-yl)methanol?
The canonical SMILES for (1-benzyl-3-methoxypyrrolidin-3-yl)methanol is COC1(CO)CCN(Cc2ccccc2)C1.
What is the InChIKey of (1-benzyl-3-methoxypyrrolidin-3-yl)methanol?
The InChIKey is WAKZPTGJJXMJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-13(11-15)7-8-14(10-13)9-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3.
What are the key properties of (1-benzyl-3-methoxypyrrolidin-3-yl)methanol?
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol has a molecular weight of 221.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-methoxypyrrolidin-3-yl)methanol is sourced from PubChem (CID 19382171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).