3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol

C12H17NO — CID 106756240

IUPAC3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol
SMILESCc1cc(C(O)CCC2CC2)ccn1
InChIInChI=1S/C12H17NO/c1-9-8-11(6-7-13-9)12(14)5-4-10-2-3-10/h6-8,10,12,14H,2-5H2,1H3
InChIKeyWHNMJPNMFYVAIR-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.61
Rot. Bonds4

About 3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol

3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol (PubChem CID 106756240) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol
PubChem CID106756240
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol
SMILESCc1cc(C(O)CCC2CC2)ccn1
InChIInChI=1S/C12H17NO/c1-9-8-11(6-7-13-9)12(14)5-4-10-2-3-10/h6-8,10,12,14H,2-5H2,1H3
InChIKeyWHNMJPNMFYVAIR-UHFFFAOYSA-N
XLogP2.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol
CID 104856
4-Hydroxymethylpyridine
CID 11472
Metyrapol
CID 161210
5-Ethyl-2-pyridineethanol
CID 78894
alpha-Methyl-3-pyridinemethanol
CID 101192
2-(2-Methylpyridin-3-yl)ethan-1-ol
CID 268518
(4-Methylpyridin-3-yl)methanol
CID 232487
Phenyl(pyridin-3-yl)methanol
CID 234839
alpha-Phenyl-4-pyridinemethanol
CID 98305
1-(2-Hydroxy-2-phenylethyl)pyridin-1-ium bromide
CID 13762804
(4-Methylphenyl)(4-pyridinyl)methanol
CID 3383504
Benzenemethanol, alpha-phenyl-alpha-(2-(4-pyridinyl)cyclopropyl)-, hydrochloride (1:1)
CID 66260

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol?
The IUPAC name of 3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol (CID 106756240) is 3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol is Cc1cc(C(O)CCC2CC2)ccn1.
What is the InChIKey of 3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol?
The InChIKey is WHNMJPNMFYVAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-8-11(6-7-13-9)12(14)5-4-10-2-3-10/h6-8,10,12,14H,2-5H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol?
3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol is sourced from PubChem (CID 106756240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).