2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol

C14H22N2O — CID 117018520

IUPAC2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol
SMILESCC1(C)CC(CCO)CN1Cc1ccccn1
InChIInChI=1S/C14H22N2O/c1-14(2)9-12(6-8-17)10-16(14)11-13-5-3-4-7-15-13/h3-5,7,12,17H,6,8-11H2,1-2H3
InChIKeyNIHTUYVTAAMGOX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.06
Rot. Bonds4

About 2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol

2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol (PubChem CID 117018520) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol
PubChem CID117018520
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol
SMILESCC1(C)CC(CCO)CN1Cc1ccccn1
InChIInChI=1S/C14H22N2O/c1-14(2)9-12(6-8-17)10-16(14)11-13-5-3-4-7-15-13/h3-5,7,12,17H,6,8-11H2,1-2H3
InChIKeyNIHTUYVTAAMGOX-UHFFFAOYSA-N
XLogP2.06
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 117020753
[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine
CID 117020604
2-[5,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 117018518
[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 117017714
2-[(2R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol
CID 98770541
2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
CID 117018668
2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64839207
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 13422569
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64842250
2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine
CID 64838682

Frequently Asked Questions

What is the IUPAC name of 2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol (CID 117018520) is 2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol is CC1(C)CC(CCO)CN1Cc1ccccn1.
What is the InChIKey of 2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is NIHTUYVTAAMGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2)9-12(6-8-17)10-16(14)11-13-5-3-4-7-15-13/h3-5,7,12,17H,6,8-11H2,1-2H3.
What are the key properties of 2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol?
2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 117018520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).