cycloheptyl-(4-methyl-3-pyridinyl)methanol

C14H21NO — CID 66273523

IUPACcycloheptyl-(4-methyl-3-pyridinyl)methanol
SMILESCc1ccncc1C(O)C1CCCCCC1
InChIInChI=1S/C14H21NO/c1-11-8-9-15-10-13(11)14(16)12-6-4-2-3-5-7-12/h8-10,12,14,16H,2-7H2,1H3
InChIKeyWXTPPEFDQNXIQI-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.39
Rot. Bonds2

About cycloheptyl-(4-methyl-3-pyridinyl)methanol

cycloheptyl-(4-methyl-3-pyridinyl)methanol (PubChem CID 66273523) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is cycloheptyl-(4-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Namecycloheptyl-(4-methyl-3-pyridinyl)methanol
PubChem CID66273523
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Namecycloheptyl-(4-methyl-3-pyridinyl)methanol
SMILESCc1ccncc1C(O)C1CCCCCC1
InChIInChI=1S/C14H21NO/c1-11-8-9-15-10-13(11)14(16)12-6-4-2-3-5-7-12/h8-10,12,14,16H,2-7H2,1H3
InChIKeyWXTPPEFDQNXIQI-UHFFFAOYSA-N
XLogP3.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
CID 66273752
(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
CID 66272876
(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol
CID 66273091
(4-ethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 66273542
(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105110904
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
(S)-cyclohexyl(pyridin-4-yl)methanol
CID 166771545
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 116772054
cycloheptyl-(5-methylpyrimidin-2-yl)methanol
CID 82931992
1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 66271830

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(4-methyl-3-pyridinyl)methanol?
The IUPAC name of cycloheptyl-(4-methyl-3-pyridinyl)methanol (CID 66273523) is cycloheptyl-(4-methyl-3-pyridinyl)methanol.
What is the SMILES notation for cycloheptyl-(4-methyl-3-pyridinyl)methanol?
The canonical SMILES for cycloheptyl-(4-methyl-3-pyridinyl)methanol is Cc1ccncc1C(O)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(4-methyl-3-pyridinyl)methanol?
The InChIKey is WXTPPEFDQNXIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-8-9-15-10-13(11)14(16)12-6-4-2-3-5-7-12/h8-10,12,14,16H,2-7H2,1H3.
What are the key properties of cycloheptyl-(4-methyl-3-pyridinyl)methanol?
cycloheptyl-(4-methyl-3-pyridinyl)methanol has a molecular weight of 219.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(4-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 66273523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).