1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol

C30H44N2O2 — CID 3403019

IUPAC1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol
SMILESCC(C)(C)C1CCC(OCC(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C30H44N2O2/c1-30(2,3)26-14-16-28(17-15-26)34-23-27(33)22-31-18-20-32(21-19-31)29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-13,26-29,33H,14-23H2,1-3H3
InChIKeyZCLCFQGKMMOAAQ-UHFFFAOYSA-N
MW464.69 g/mol
LogP5.38
Rot. Bonds8

About 1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol

1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol (PubChem CID 3403019) has the molecular formula C30H44N2O2 and a molecular weight of 464.69 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol
PubChem CID3403019
Molecular FormulaC30H44N2O2
Molecular Weight464.69 g/mol
Exact Mass464.34
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol
SMILESCC(C)(C)C1CCC(OCC(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C30H44N2O2/c1-30(2,3)26-14-16-28(17-15-26)34-23-27(33)22-31-18-20-32(21-19-31)29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-13,26-29,33H,14-23H2,1-3H3
InChIKeyZCLCFQGKMMOAAQ-UHFFFAOYSA-N
XLogP5.38
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.69
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-1-(4-tert-butylcyclohexyl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 2134592
(2R)-1-(4-tert-butylcyclohexyl)oxy-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 34886857
2-[2-[4-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione dichloride
CID 21237516
ethyl 4-[(2R)-3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazine-1-carboxylate
CID 7058807
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 34065761
1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
CID 20795195
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-ol
CID 2328997
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 34065755
bis[(2R)-3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl] decanedioate
CID 99687826
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 93020853
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-[bis(4-chlorophenyl)methoxy]propan-2-ol
CID 98291992

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol (CID 3403019) is 1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol is CC(C)(C)C1CCC(OCC(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol?
The InChIKey is ZCLCFQGKMMOAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O2/c1-30(2,3)26-14-16-28(17-15-26)34-23-27(33)22-31-18-20-32(21-19-31)29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-13,26-29,33H,14-23H2,1-3H3.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol?
1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol has a molecular weight of 464.69 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 3403019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).