2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol

C13H19NO — CID 79863167

IUPAC2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol
SMILESCC1(C)CCCC1(O)Cc1ccncc1
InChIInChI=1S/C13H19NO/c1-12(2)6-3-7-13(12,15)10-11-4-8-14-9-5-11/h4-5,8-9,15H,3,6-7,10H2,1-2H3
InChIKeyLRFFIGBZUSPIDE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.57
Rot. Bonds2

About 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol

2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol (PubChem CID 79863167) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol
PubChem CID79863167
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol
SMILESCC1(C)CCCC1(O)Cc1ccncc1
InChIInChI=1S/C13H19NO/c1-12(2)6-3-7-13(12,15)10-11-4-8-14-9-5-11/h4-5,8-9,15H,3,6-7,10H2,1-2H3
InChIKeyLRFFIGBZUSPIDE-UHFFFAOYSA-N
XLogP2.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79862440
8-methyl-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171959372
4-[(2-methylpyrrolidin-2-yl)methyl]pyridine
CID 66465987
2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
CID 79863695
2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006430
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863268
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863680
2-[1-(pyridin-4-ylmethyl)cyclopropyl]acetic acid
CID 82403497
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91273952
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79852504

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol (CID 79863167) is 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol is CC1(C)CCCC1(O)Cc1ccncc1.
What is the InChIKey of 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol?
The InChIKey is LRFFIGBZUSPIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-12(2)6-3-7-13(12,15)10-11-4-8-14-9-5-11/h4-5,8-9,15H,3,6-7,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol?
2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 79863167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).