3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol

C14H23NO — CID 54344402

IUPAC3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol
SMILESCCCN1CCCC(C2=CC(O)CC=C2)C1
InChIInChI=1S/C14H23NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,10,13-14,16H,2,4,6-9,11H2,1H3
InChIKeyUBGFGKWYPSWVBS-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.36
Rot. Bonds3

About 3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol

3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 54344402) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol
PubChem CID54344402
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol
SMILESCCCN1CCCC(C2=CC(O)CC=C2)C1
InChIInChI=1S/C14H23NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,10,13-14,16H,2,4,6-9,11H2,1H3
InChIKeyUBGFGKWYPSWVBS-UHFFFAOYSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol (CID 54344402) is 3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol is CCCN1CCCC(C2=CC(O)CC=C2)C1.
What is the InChIKey of 3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is UBGFGKWYPSWVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,10,13-14,16H,2,4,6-9,11H2,1H3.
What are the key properties of 3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol?
3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 54344402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).