[1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol

C13H21NO — CID 118281619

IUPAC[1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C13H21NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h2,4-5,13,15H,1,3,6-11H2
InChIKeyBMUQIJLMVQJJMK-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.97
Rot. Bonds3

About [1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol

[1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol (PubChem CID 118281619) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol
PubChem CID118281619
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C13H21NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h2,4-5,13,15H,1,3,6-11H2
InChIKeyBMUQIJLMVQJJMK-UHFFFAOYSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexa-1,5-dien-1-ylmethyl)-4-ethenylpiperidine
CID 145095853
1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane
CID 143054399
1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine
CID 142178188
[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
CID 170916888
1-(cyclohexa-1,5-dien-1-ylmethyl)-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine
CID 162754948
[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol
CID 51080740
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol
CID 66141579
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarbothioamide
CID 43246141
[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
CID 122463493
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 106993477

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol (CID 118281619) is [1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol is OCC1CCN(CC2=CCCC=C2)CC1.
What is the InChIKey of [1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is BMUQIJLMVQJJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h2,4-5,13,15H,1,3,6-11H2.
What are the key properties of [1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol?
[1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 207.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 118281619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).