1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol

C16H27NO — CID 141454593

IUPAC1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol
SMILESCCCC(O)C1(C2CCCCN2)C=CC=C(C)C1
InChIInChI=1S/C16H27NO/c1-3-7-15(18)16(10-6-8-13(2)12-16)14-9-4-5-11-17-14/h6,8,10,14-15,17-18H,3-5,7,9,11-12H2,1-2H3
InChIKeySMUMZALRBCNUHY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.18
Rot. Bonds4

About 1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol

1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol (PubChem CID 141454593) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol.

Molecular Properties

Compound Name1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol
PubChem CID141454593
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol
SMILESCCCC(O)C1(C2CCCCN2)C=CC=C(C)C1
InChIInChI=1S/C16H27NO/c1-3-7-15(18)16(10-6-8-13(2)12-16)14-9-4-5-11-17-14/h6,8,10,14-15,17-18H,3-5,7,9,11-12H2,1-2H3
InChIKeySMUMZALRBCNUHY-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

Analyze 1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol?
The IUPAC name of 1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol (CID 141454593) is 1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol.
What is the SMILES notation for 1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol?
The canonical SMILES for 1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol is CCCC(O)C1(C2CCCCN2)C=CC=C(C)C1.
What is the InChIKey of 1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol?
The InChIKey is SMUMZALRBCNUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-7-15(18)16(10-6-8-13(2)12-16)14-9-4-5-11-17-14/h6,8,10,14-15,17-18H,3-5,7,9,11-12H2,1-2H3.
What are the key properties of 1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol?
1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-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 1-(5-methyl-1-piperidin-2-ylcyclohexa-2,4-dien-1-yl)butan-1-ol is sourced from PubChem (CID 141454593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).