1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol

C18H29NO — CID 67561459

IUPAC1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol
SMILESCC1(C)C=CC(C2(CCN3CCC(O)CC3)CC2)=CC1
InChIInChI=1S/C18H29NO/c1-17(2)7-3-15(4-8-17)18(9-10-18)11-14-19-12-5-16(20)6-13-19/h3-4,7,16,20H,5-6,8-14H2,1-2H3
InChIKeyNSMMJLGACAXHPA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.53
Rot. Bonds4

About 1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol

1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol (PubChem CID 67561459) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol
PubChem CID67561459
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol
SMILESCC1(C)C=CC(C2(CCN3CCC(O)CC3)CC2)=CC1
InChIInChI=1S/C18H29NO/c1-17(2)7-3-15(4-8-17)18(9-10-18)11-14-19-12-5-16(20)6-13-19/h3-4,7,16,20H,5-6,8-14H2,1-2H3
InChIKeyNSMMJLGACAXHPA-UHFFFAOYSA-N
XLogP3.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-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-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol (CID 67561459) is 1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol is CC1(C)C=CC(C2(CCN3CCC(O)CC3)CC2)=CC1.
What is the InChIKey of 1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol?
The InChIKey is NSMMJLGACAXHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2)7-3-15(4-8-17)18(9-10-18)11-14-19-12-5-16(20)6-13-19/h3-4,7,16,20H,5-6,8-14H2,1-2H3.
What are the key properties of 1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol?
1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol has a molecular weight of 275.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4,4-dimethylcyclohexa-1,5-dien-1-yl)cyclopropyl]ethyl]piperidin-4-ol is sourced from PubChem (CID 67561459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).