1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine

C17H26N2O — CID 171275572

IUPAC1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
SMILESCCOc1ccccc1[C@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C17H26N2O/c1-2-20-17-6-4-3-5-15(17)16(13-14-7-8-14)19-11-9-18-10-12-19/h3-6,14,16,18H,2,7-13H2,1H3/t16-/m0/s1
InChIKeyCVXODVQAGTYASU-INIZCTEOSA-N
MW274.41 g/mol
LogP2.83
Rot. Bonds6

About 1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine

1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine (PubChem CID 171275572) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
PubChem CID171275572
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
SMILESCCOc1ccccc1[C@H](CC1CC1)N1CCNCC1
InChIInChI=1S/C17H26N2O/c1-2-20-17-6-4-3-5-15(17)16(13-14-7-8-14)19-11-9-18-10-12-19/h3-6,14,16,18H,2,7-13H2,1H3/t16-/m0/s1
InChIKeyCVXODVQAGTYASU-INIZCTEOSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 83979111
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795
1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171295033
1-[(1R)-2-cyclopropyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171292233
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine
CID 171169448
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
CID 171288181
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzonitrile;dihydrochloride
CID 171288069

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine (CID 171275572) is 1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine is CCOc1ccccc1[C@H](CC1CC1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine?
The InChIKey is CVXODVQAGTYASU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-20-17-6-4-3-5-15(17)16(13-14-7-8-14)19-11-9-18-10-12-19/h3-6,14,16,18H,2,7-13H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine?
1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 171275572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).