(1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone

C14H19NO2 — CID 103450134

IUPAC(1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)C1(O)CCCCCC1
InChIInChI=1S/C14H19NO2/c1-11-6-9-15-10-12(11)13(16)14(17)7-4-2-3-5-8-14/h6,9-10,17H,2-5,7-8H2,1H3
InChIKeyHBQDPCFJYMCUHZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.66
Rot. Bonds2

About (1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone

(1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 103450134) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone
PubChem CID103450134
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)C1(O)CCCCCC1
InChIInChI=1S/C14H19NO2/c1-11-6-9-15-10-12(11)13(16)14(17)7-4-2-3-5-8-14/h6,9-10,17H,2-5,7-8H2,1H3
InChIKeyHBQDPCFJYMCUHZ-UHFFFAOYSA-N
XLogP2.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone
CID 116600758
(4-amino-3-pyridinyl)-(1-hydroxycyclopentyl)methanone
CID 103447715
(1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone
CID 116706976
4-methylpyridine-3-carbonyl chloride
CID 22386188
(4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone
CID 66273110
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
2-methyl-1-(4-methyl-3-pyridinyl)-2-piperidin-1-ylpropan-1-one
CID 79045680
(1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone
CID 103450168
methyl 4-methylpyridine-3-carboxylate
CID 10877301
1-(4-methyl-3-pyridinyl)prop-2-en-1-one
CID 112704889
(3,4-dimethylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447660
(1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone
CID 103449621

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone (CID 103450134) is (1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)C1(O)CCCCCC1.
What is the InChIKey of (1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is HBQDPCFJYMCUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-6-9-15-10-12(11)13(16)14(17)7-4-2-3-5-8-14/h6,9-10,17H,2-5,7-8H2,1H3.
What are the key properties of (1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone?
(1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 103450134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).