[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol

C13H20N2O — CID 117017714

IUPAC[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCC1(C)C(CO)CCN1Cc1ccccn1
InChIInChI=1S/C13H20N2O/c1-13(2)11(10-16)6-8-15(13)9-12-5-3-4-7-14-12/h3-5,7,11,16H,6,8-10H2,1-2H3
InChIKeySNBUIUNFQBUIGD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.67
Rot. Bonds3

About [2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol

[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 117017714) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID117017714
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCC1(C)C(CO)CCN1Cc1ccccn1
InChIInChI=1S/C13H20N2O/c1-13(2)11(10-16)6-8-15(13)9-12-5-3-4-7-14-12/h3-5,7,11,16H,6,8-10H2,1-2H3
InChIKeySNBUIUNFQBUIGD-UHFFFAOYSA-N
XLogP1.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788259
[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine
CID 117020604
1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 117020753
2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol
CID 117018520
2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine
CID 117024792
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile
CID 52933322
2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile
CID 117024733
(4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine
CID 110138265
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol (CID 117017714) is [2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol is CC1(C)C(CO)CCN1Cc1ccccn1.
What is the InChIKey of [2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is SNBUIUNFQBUIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2)11(10-16)6-8-15(13)9-12-5-3-4-7-14-12/h3-5,7,11,16H,6,8-10H2,1-2H3.
What are the key properties of [2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol?
[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 220.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117017714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).