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

C23H39N3O2 — CID 58786483

IUPACtert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate
SMILESCCCN(CCC)CC(c1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H39N3O2/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/h8-12,21H,6-7,13-19H2,1-5H3
InChIKeyGCQBBVWVAMEVKI-UHFFFAOYSA-N
MW389.58 g/mol
LogP4.40
Rot. Bonds8

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

tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate (PubChem CID 58786483) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate
PubChem CID58786483
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC Nametert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate
SMILESCCCN(CCC)CC(c1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H39N3O2/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/h8-12,21H,6-7,13-19H2,1-5H3
InChIKeyGCQBBVWVAMEVKI-UHFFFAOYSA-N
XLogP4.40
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate
CID 51623312
tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate
CID 142661174
tert-butyl 4-[2-(diethylamino)-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate
CID 58786604
tert-butyl 4-[1-[4-(1-aminoethyl)phenyl]propyl]piperazine-1-carboxylate
CID 175168311
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
CID 60587742
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
tert-butyl 4-[N'-(2-phenyl-2-pyrrolidin-1-ylethyl)carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111029795
tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate
CID 58780655
tert-butyl 4-[(1S)-2-amino-1-(4-bromophenyl)ethyl]piperazine-1-carboxylate
CID 28703969
3-[[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-phenylethyl]-propylamino]propanamide
CID 173169137
tert-butyl 4-[(1R)-2-amino-1-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate
CID 28703897
tert-butyl 4-[1-(4-chlorophenyl)-5-(dimethylamino)pentyl]piperazine-1-carboxylate
CID 142156946

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate (CID 58786483) is tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate is CCCN(CCC)CC(c1ccccc1)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate?
The InChIKey is GCQBBVWVAMEVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2/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/h8-12,21H,6-7,13-19H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate has a molecular weight of 389.58 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate is sourced from PubChem (CID 58786483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).