1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile

C15H20N2O — CID 80604094

IUPAC1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile
SMILESN#CC1(C(O)c2cccnc2)CCCCCCC1
InChIInChI=1S/C15H20N2O/c16-12-15(8-4-2-1-3-5-9-15)14(18)13-7-6-10-17-11-13/h6-7,10-11,14,18H,1-5,8-9H2
InChIKeySEOAKMBYWQGSAY-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.37
Rot. Bonds2

About 1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile

1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile (PubChem CID 80604094) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile
PubChem CID80604094
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile
SMILESN#CC1(C(O)c2cccnc2)CCCCCCC1
InChIInChI=1S/C15H20N2O/c16-12-15(8-4-2-1-3-5-9-15)14(18)13-7-6-10-17-11-13/h6-7,10-11,14,18H,1-5,8-9H2
InChIKeySEOAKMBYWQGSAY-UHFFFAOYSA-N
XLogP3.37
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[hydroxy-(6-methyl-3-pyridinyl)methyl]cycloheptane-1-carbonitrile
CID 104823982
1-[(3-chlorophenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79136424
1-[hydroxy-(4-propan-2-ylphenyl)methyl]cycloheptane-1-carbonitrile
CID 79136509
1-[(4-bromophenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79136566
1-[hydroxy-(3-methylphenyl)methyl]cyclopentane-1-carbonitrile
CID 79136710
(1-ethoxycyclohexyl)-pyridin-3-ylmethanol
CID 116753647
1-[hydroxy-(3-propoxyphenyl)methyl]cycloheptane-1-carbonitrile
CID 79124056
1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836352
1-[(4-fluorophenyl)-hydroxymethyl]cyclobutane-1-carbonitrile
CID 79137499
3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523719
1-[hydroxy-(2-methylphenyl)methyl]cyclooctane-1-carbonitrile
CID 80603593
1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol
CID 81405097

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile?
The IUPAC name of 1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile (CID 80604094) is 1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile?
The canonical SMILES for 1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile is N#CC1(C(O)c2cccnc2)CCCCCCC1.
What is the InChIKey of 1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile?
The InChIKey is SEOAKMBYWQGSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-12-15(8-4-2-1-3-5-9-15)14(18)13-7-6-10-17-11-13/h6-7,10-11,14,18H,1-5,8-9H2.
What are the key properties of 1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile?
1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile is sourced from PubChem (CID 80604094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).