2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol

C16H27NO — CID 174888577

IUPAC2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol
SMILESCCCC(C)(O)C1(C2CCCCN2)C=CC=CC1
InChIInChI=1S/C16H27NO/c1-3-10-15(2,18)16(11-6-4-7-12-16)14-9-5-8-13-17-14/h4,6-7,11,14,17-18H,3,5,8-10,12-13H2,1-2H3
InChIKeyWCVNSVCGXXGMNG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.18
Rot. Bonds4

About 2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol

2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol (PubChem CID 174888577) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol.

Molecular Properties

Compound Name2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol
PubChem CID174888577
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol
SMILESCCCC(C)(O)C1(C2CCCCN2)C=CC=CC1
InChIInChI=1S/C16H27NO/c1-3-10-15(2,18)16(11-6-4-7-12-16)14-9-5-8-13-17-14/h4,6-7,11,14,17-18H,3,5,8-10,12-13H2,1-2H3
InChIKeyWCVNSVCGXXGMNG-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol?
The IUPAC name of 2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol (CID 174888577) is 2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol.
What is the SMILES notation for 2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol?
The canonical SMILES for 2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol is CCCC(C)(O)C1(C2CCCCN2)C=CC=CC1.
What is the InChIKey of 2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol?
The InChIKey is WCVNSVCGXXGMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-10-15(2,18)16(11-6-4-7-12-16)14-9-5-8-13-17-14/h4,6-7,11,14,17-18H,3,5,8-10,12-13H2,1-2H3.
What are the key properties of 2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol?
2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol is sourced from PubChem (CID 174888577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).