tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate

C23H45N3O2 — CID 58780655

IUPACtert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate
SMILESCCCN(CCC)CC(C1CCCCC1)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H45N3O2/c1-6-13-24(14-7-2)19-21(20-11-9-8-10-12-20)25-15-17-26(18-16-25)22(27)28-23(3,4)5/h20-21H,6-19H2,1-5H3
InChIKeyHABSINUIQFIUEO-UHFFFAOYSA-N
MW395.63 g/mol
LogP4.61
Rot. Bonds8

About tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate

tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate (PubChem CID 58780655) has the molecular formula C23H45N3O2 and a molecular weight of 395.63 g/mol. Its IUPAC name is tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate
PubChem CID58780655
Molecular FormulaC23H45N3O2
Molecular Weight395.63 g/mol
Exact Mass395.35
IUPAC Nametert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate
SMILESCCCN(CCC)CC(C1CCCCC1)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H45N3O2/c1-6-13-24(14-7-2)19-21(20-11-9-8-10-12-20)25-15-17-26(18-16-25)22(27)28-23(3,4)5/h20-21H,6-19H2,1-5H3
InChIKeyHABSINUIQFIUEO-UHFFFAOYSA-N
XLogP4.61
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.63
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate 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

tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate
CID 58780616
2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 58786485
tert-butyl 4-(2-amino-1-pyrrolidin-1-ylethyl)piperidine-1-carboxylate
CID 84815847
tert-butyl 4-(1-cycloheptyl-2-oxoethyl)piperazine-1-carboxylate
CID 58786584
tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate
CID 58786483
tert-butyl 4-[(dipropylamino)methyl]piperidine-1-carboxylate
CID 123464711
tert-butyl 4-[(2E)-1-cyclohexyl-2-hydroxyiminoethyl]piperazine-1-carboxylate
CID 58786427
tert-butyl 5-[2-[acetyl(2-methylpropyl)amino]-1-cyclohexylethyl]-1,2,5-oxadiazepane-2-carboxylate
CID 142157061
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 3-[(S)-cyclohexyl(hydroxy)methyl]pyrrolidine-1-carboxylate
CID 66892173
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate
CID 145446627

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate (CID 58780655) is tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate is CCCN(CCC)CC(C1CCCCC1)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate?
The InChIKey is HABSINUIQFIUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3O2/c1-6-13-24(14-7-2)19-21(20-11-9-8-10-12-20)25-15-17-26(18-16-25)22(27)28-23(3,4)5/h20-21H,6-19H2,1-5H3.
What are the key properties of tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate has a molecular weight of 395.63 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 58780655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).