(1-benzyl-3-methylpyrrolidin-2-yl)methanol

C13H19NO — CID 78022490

IUPAC(1-benzyl-3-methylpyrrolidin-2-yl)methanol
SMILESCC1CCN(Cc2ccccc2)C1CO
InChIInChI=1S/C13H19NO/c1-11-7-8-14(13(11)10-15)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3
InChIKeyFLGMZFFCWQYRFZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.89
Rot. Bonds3

About (1-benzyl-3-methylpyrrolidin-2-yl)methanol

(1-benzyl-3-methylpyrrolidin-2-yl)methanol (PubChem CID 78022490) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1-benzyl-3-methylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-3-methylpyrrolidin-2-yl)methanol
PubChem CID78022490
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1-benzyl-3-methylpyrrolidin-2-yl)methanol
SMILESCC1CCN(Cc2ccccc2)C1CO
InChIInChI=1S/C13H19NO/c1-11-7-8-14(13(11)10-15)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3
InChIKeyFLGMZFFCWQYRFZ-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 102788811
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788535
[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
[3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788095
[3-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788259
[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787791
[1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol
CID 85281487
[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 102788959
[1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778604
N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
CID 102787693

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-methylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-benzyl-3-methylpyrrolidin-2-yl)methanol (CID 78022490) is (1-benzyl-3-methylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-benzyl-3-methylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-benzyl-3-methylpyrrolidin-2-yl)methanol is CC1CCN(Cc2ccccc2)C1CO.
What is the InChIKey of (1-benzyl-3-methylpyrrolidin-2-yl)methanol?
The InChIKey is FLGMZFFCWQYRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-7-8-14(13(11)10-15)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3.
What are the key properties of (1-benzyl-3-methylpyrrolidin-2-yl)methanol?
(1-benzyl-3-methylpyrrolidin-2-yl)methanol has a molecular weight of 205.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-methylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 78022490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).