4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol

C35H48N2O — CID 134388845

IUPAC4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol
SMILESC=C(C)CC(c1cccc(CCC2CCN(c3cc(O)ccc3C(=C)NC3CCCCC3)CC2)c1)C1CC1
InChIInChI=1S/C35H48N2O/c1-25(2)22-34(29-14-15-29)30-9-7-8-28(23-30)13-12-27-18-20-37(21-19-27)35-24-32(38)16-17-33(35)26(3)36-31-10-5-4-6-11-31/h7-9,16-17,23-24,27,29,31,34,36,38H,1,3-6,10-15,18-22H2,2H3
InChIKeySSOCEWMZKRRFIG-UHFFFAOYSA-N
MW512.78 g/mol
LogP8.59
Rot. Bonds11

About 4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol

4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol (PubChem CID 134388845) has the molecular formula C35H48N2O and a molecular weight of 512.78 g/mol. Its IUPAC name is 4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol.

Molecular Properties

Compound Name4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol
PubChem CID134388845
Molecular FormulaC35H48N2O
Molecular Weight512.78 g/mol
Exact Mass512.38
IUPAC Name4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol
SMILESC=C(C)CC(c1cccc(CCC2CCN(c3cc(O)ccc3C(=C)NC3CCCCC3)CC2)c1)C1CC1
InChIInChI=1S/C35H48N2O/c1-25(2)22-34(29-14-15-29)30-9-7-8-28(23-30)13-12-27-18-20-37(21-19-27)35-24-32(38)16-17-33(35)26(3)36-31-10-5-4-6-11-31/h7-9,16-17,23-24,27,29,31,34,36,38H,1,3-6,10-15,18-22H2,2H3
InChIKeySSOCEWMZKRRFIG-UHFFFAOYSA-N
XLogP8.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.78
LogP ≤ 58.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol 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 4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol?
The IUPAC name of 4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol (CID 134388845) is 4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol.
What is the SMILES notation for 4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol?
The canonical SMILES for 4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol is C=C(C)CC(c1cccc(CCC2CCN(c3cc(O)ccc3C(=C)NC3CCCCC3)CC2)c1)C1CC1.
What is the InChIKey of 4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol?
The InChIKey is SSOCEWMZKRRFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N2O/c1-25(2)22-34(29-14-15-29)30-9-7-8-28(23-30)13-12-27-18-20-37(21-19-27)35-24-32(38)16-17-33(35)26(3)36-31-10-5-4-6-11-31/h7-9,16-17,23-24,27,29,31,34,36,38H,1,3-6,10-15,18-22H2,2H3.
What are the key properties of 4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol?
4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol has a molecular weight of 512.78 g/mol, XLogP of 8.59, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylamino)ethenyl]-3-[4-[2-[3-(1-cyclopropyl-3-methylbut-3-enyl)phenyl]ethyl]piperidin-1-yl]phenol is sourced from PubChem (CID 134388845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).