2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol

C14H21NO — CID 112651216

IUPAC2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol
SMILESCc1cccnc1CC1CCCCCC1O
InChIInChI=1S/C14H21NO/c1-11-6-5-9-15-13(11)10-12-7-3-2-4-8-14(12)16/h5-6,9,12,14,16H,2-4,7-8,10H2,1H3
InChIKeyWRERITMISVWFES-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.87
Rot. Bonds2

About 2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol

2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol (PubChem CID 112651216) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol
PubChem CID112651216
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol
SMILESCc1cccnc1CC1CCCCCC1O
InChIInChI=1S/C14H21NO/c1-11-6-5-9-15-13(11)10-12-7-3-2-4-8-14(12)16/h5-6,9,12,14,16H,2-4,7-8,10H2,1H3
InChIKeyWRERITMISVWFES-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol
CID 112651229
2-(cyclopropylmethyl)-3-methylpyridine
CID 130382074
2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233
1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone
CID 66448021
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463
3-[(3-methyl-2-pyridinyl)methyl]azepane
CID 104680698
1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one
CID 114458215
2-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-2-yl]cyclohexan-1-ol
CID 114339826
1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446086
1-cyclooctyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446277
2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365313

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol (CID 112651216) is 2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol is Cc1cccnc1CC1CCCCCC1O.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol?
The InChIKey is WRERITMISVWFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-6-5-9-15-13(11)10-12-7-3-2-4-8-14(12)16/h5-6,9,12,14,16H,2-4,7-8,10H2,1H3.
What are the key properties of 2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol?
2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 112651216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).