4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol

C12H19NO — CID 142093009

IUPAC4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol
SMILESOC1CNCCC1CC1=CCCC=C1
InChIInChI=1S/C12H19NO/c14-12-9-13-7-6-11(12)8-10-4-2-1-3-5-10/h2,4-5,11-14H,1,3,6-9H2
InChIKeyYKMZZUNXCDTUPF-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.62
Rot. Bonds2

About 4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol

4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol (PubChem CID 142093009) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol
PubChem CID142093009
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol
SMILESOC1CNCCC1CC1=CCCC=C1
InChIInChI=1S/C12H19NO/c14-12-9-13-7-6-11(12)8-10-4-2-1-3-5-10/h2,4-5,11-14H,1,3,6-9H2
InChIKeyYKMZZUNXCDTUPF-UHFFFAOYSA-N
XLogP1.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol (CID 142093009) is 4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol is OC1CNCCC1CC1=CCCC=C1.
What is the InChIKey of 4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol?
The InChIKey is YKMZZUNXCDTUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12-9-13-7-6-11(12)8-10-4-2-1-3-5-10/h2,4-5,11-14H,1,3,6-9H2.
What are the key properties of 4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol?
4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol has a molecular weight of 193.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 142093009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).