1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine

C19H30N2 — CID 171275301

IUPAC1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
SMILESCC(C)(C)c1ccc([C@H](CC2CC2)N2CCNCC2)cc1
InChIInChI=1S/C19H30N2/c1-19(2,3)17-8-6-16(7-9-17)18(14-15-4-5-15)21-12-10-20-11-13-21/h6-9,15,18,20H,4-5,10-14H2,1-3H3/t18-/m0/s1
InChIKeyGIPMBXQXWAHJAR-SFHVURJKSA-N
MW286.46 g/mol
LogP3.73
Rot. Bonds4

About 1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine

1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine (PubChem CID 171275301) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
PubChem CID171275301
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
SMILESCC(C)(C)c1ccc([C@H](CC2CC2)N2CCNCC2)cc1
InChIInChI=1S/C19H30N2/c1-19(2,3)17-8-6-16(7-9-17)18(14-15-4-5-15)21-12-10-20-11-13-21/h6-9,15,18,20H,4-5,10-14H2,1-3H3/t18-/m0/s1
InChIKeyGIPMBXQXWAHJAR-SFHVURJKSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine 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

1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
1-[(1R)-1-(4-tert-butylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182372
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
CID 171292165
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline
CID 171279366
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292166
1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169001
1-[(1S)-1-(4-tert-butylphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275303
[4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]phenoxy]-trimethylsilane;dihydrochloride
CID 171279042

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine (CID 171275301) is 1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine is CC(C)(C)c1ccc([C@H](CC2CC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine?
The InChIKey is GIPMBXQXWAHJAR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N2/c1-19(2,3)17-8-6-16(7-9-17)18(14-15-4-5-15)21-12-10-20-11-13-21/h6-9,15,18,20H,4-5,10-14H2,1-3H3/t18-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine?
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine is sourced from PubChem (CID 171275301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).