4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol

C16H27NO — CID 68745676

IUPAC4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol
SMILESCCCC1(O)C=CC(N2CCCCC2(C)C)=CC1
InChIInChI=1S/C16H27NO/c1-4-9-16(18)11-7-14(8-12-16)17-13-6-5-10-15(17,2)3/h7-8,11,18H,4-6,9-10,12-13H2,1-3H3
InChIKeyMSLGZAKUZNAGHK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.63
Rot. Bonds3

About 4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol

4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol (PubChem CID 68745676) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol
PubChem CID68745676
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol
SMILESCCCC1(O)C=CC(N2CCCCC2(C)C)=CC1
InChIInChI=1S/C16H27NO/c1-4-9-16(18)11-7-14(8-12-16)17-13-6-5-10-15(17,2)3/h7-8,11,18H,4-6,9-10,12-13H2,1-3H3
InChIKeyMSLGZAKUZNAGHK-UHFFFAOYSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol (CID 68745676) is 4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol is CCCC1(O)C=CC(N2CCCCC2(C)C)=CC1.
What is the InChIKey of 4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol?
The InChIKey is MSLGZAKUZNAGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-9-16(18)11-7-14(8-12-16)17-13-6-5-10-15(17,2)3/h7-8,11,18H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol?
4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 68745676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).