(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol

C16H25NO — CID 66273752

IUPAC(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
SMILESCc1ccncc1C(O)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H25NO/c1-11(2)13-4-6-14(7-5-13)16(18)15-10-17-9-8-12(15)3/h8-11,13-14,16,18H,4-7H2,1-3H3
InChIKeySFQAFNREOWUCOI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.89
Rot. Bonds3

About (4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol

(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol (PubChem CID 66273752) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
PubChem CID66273752
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
SMILESCc1ccncc1C(O)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H25NO/c1-11(2)13-4-6-14(7-5-13)16(18)15-10-17-9-8-12(15)3/h8-11,13-14,16,18H,4-7H2,1-3H3
InChIKeySFQAFNREOWUCOI-UHFFFAOYSA-N
XLogP3.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl-(4-methyl-3-pyridinyl)methanol
CID 66273523
(4-ethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 66273542
(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
CID 66272876
(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105110904
(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol
CID 66273091
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
(2,3-dimethylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424313
3-methyl-4-(4-propan-2-ylcyclohexyl)pyridine
CID 59352030
4-methyl-1-(4-methyl-3-pyridinyl)pentan-1-ol
CID 66272896
(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methyl-3-pyridinyl)methanol
CID 66272474
(2-amino-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65425477

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol?
The IUPAC name of (4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol (CID 66273752) is (4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol.
What is the SMILES notation for (4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol?
The canonical SMILES for (4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol is Cc1ccncc1C(O)C1CCC(C(C)C)CC1.
What is the InChIKey of (4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol?
The InChIKey is SFQAFNREOWUCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)13-4-6-14(7-5-13)16(18)15-10-17-9-8-12(15)3/h8-11,13-14,16,18H,4-7H2,1-3H3.
What are the key properties of (4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol?
(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol has a molecular weight of 247.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol is sourced from PubChem (CID 66273752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).