4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline

C19H31N3 — CID 171279366

IUPAC4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc([C@H](CC2CC2)N2CCNCC2)cc1
InChIInChI=1S/C19H31N3/c1-3-21(4-2)18-9-7-17(8-10-18)19(15-16-5-6-16)22-13-11-20-12-14-22/h7-10,16,19-20H,3-6,11-15H2,1-2H3/t19-/m0/s1
InChIKeyVJKSEEGDVRIGHX-IBGZPJMESA-N
MW301.48 g/mol
LogP3.28
Rot. Bonds7

About 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline

4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline (PubChem CID 171279366) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline
PubChem CID171279366
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc([C@H](CC2CC2)N2CCNCC2)cc1
InChIInChI=1S/C19H31N3/c1-3-21(4-2)18-9-7-17(8-10-18)19(15-16-5-6-16)22-13-11-20-12-14-22/h7-10,16,19-20H,3-6,11-15H2,1-2H3/t19-/m0/s1
InChIKeyVJKSEEGDVRIGHX-IBGZPJMESA-N
XLogP3.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171183486
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-5-(diethylamino)phenol;dihydrochloride
CID 171272322
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
CID 171275301
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
N,N-diethyl-4-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]aniline
CID 171302840
N,N-diethyl-4-[(1S)-1-piperazin-1-ylhexyl]aniline
CID 171309273
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
N,N-diethyl-4-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]aniline;dihydrochloride
CID 171279375
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
CID 171292165
N,N-diethyl-4-[(S)-oxan-4-yl(piperazin-1-yl)methyl]aniline
CID 171279360

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline?
The IUPAC name of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline (CID 171279366) is 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline is CCN(CC)c1ccc([C@H](CC2CC2)N2CCNCC2)cc1.
What is the InChIKey of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline?
The InChIKey is VJKSEEGDVRIGHX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H31N3/c1-3-21(4-2)18-9-7-17(8-10-18)19(15-16-5-6-16)22-13-11-20-12-14-22/h7-10,16,19-20H,3-6,11-15H2,1-2H3/t19-/m0/s1.
What are the key properties of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline?
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline has a molecular weight of 301.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline is sourced from PubChem (CID 171279366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).