[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol

C15H21NO — CID 66395265

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CC1Cc2ccccc21
InChIInChI=1S/C15H21NO/c17-11-14-6-3-4-8-16(14)10-13-9-12-5-1-2-7-15(12)13/h1-2,5,7,13-14,17H,3-4,6,8-11H2
InChIKeyRNYLZDOJNOEKLM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.17
Rot. Bonds3

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol (PubChem CID 66395265) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol
PubChem CID66395265
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CC1Cc2ccccc21
InChIInChI=1S/C15H21NO/c17-11-14-6-3-4-8-16(14)10-13-9-12-5-1-2-7-15(12)13/h1-2,5,7,13-14,17H,3-4,6,8-11H2
InChIKeyRNYLZDOJNOEKLM-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(bromomethyl)azepane
CID 116638369
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azepan-2-yl]methanol
CID 116637161
N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 66419323
2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one
CID 79536535
N-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-2-yl]methanamine
CID 63771773
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpiperidine-4-carboxylic acid
CID 106744817
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine
CID 66396255
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929794
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine
CID 79220800
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol
CID 66394300

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol (CID 66395265) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol is OCC1CCCCN1CC1Cc2ccccc21.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol?
The InChIKey is RNYLZDOJNOEKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-11-14-6-3-4-8-16(14)10-13-9-12-5-1-2-7-15(12)13/h1-2,5,7,13-14,17H,3-4,6,8-11H2.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol has a molecular weight of 231.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol is sourced from PubChem (CID 66395265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).