[9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol

C18H27NO — CID 15234849

IUPAC[9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol
SMILESOCC1CCC2(CC1)CCC(Cc1cccnc1)CC2
InChIInChI=1S/C18H27NO/c20-14-16-5-9-18(10-6-16)7-3-15(4-8-18)12-17-2-1-11-19-13-17/h1-2,11,13,15-16,20H,3-10,12,14H2
InChIKeyNLFWNAWPISRLNO-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.98
Rot. Bonds3

About [9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol

[9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol (PubChem CID 15234849) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is [9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol.

Molecular Properties

Compound Name[9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol
PubChem CID15234849
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name[9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol
SMILESOCC1CCC2(CC1)CCC(Cc1cccnc1)CC2
InChIInChI=1S/C18H27NO/c20-14-16-5-9-18(10-6-16)7-3-15(4-8-18)12-17-2-1-11-19-13-17/h1-2,11,13,15-16,20H,3-10,12,14H2
InChIKeyNLFWNAWPISRLNO-UHFFFAOYSA-N
XLogP3.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 83822125
1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile
CID 142227675
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
CID 121450514
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
CID 120849136
3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104736993
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanol
CID 63262723
[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 126435090
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
3-(2-cyclobutylethyl)pyridine
CID 57204476

Frequently Asked Questions

What is the IUPAC name of [9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol?
The IUPAC name of [9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol (CID 15234849) is [9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol.
What is the SMILES notation for [9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol?
The canonical SMILES for [9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol is OCC1CCC2(CC1)CCC(Cc1cccnc1)CC2.
What is the InChIKey of [9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol?
The InChIKey is NLFWNAWPISRLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c20-14-16-5-9-18(10-6-16)7-3-15(4-8-18)12-17-2-1-11-19-13-17/h1-2,11,13,15-16,20H,3-10,12,14H2.
What are the key properties of [9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol?
[9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol has a molecular weight of 273.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol is sourced from PubChem (CID 15234849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).