1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine

C20H26N2 — CID 3246046

IUPAC1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
SMILESC[C@H](c1ccccc1)N1CCN([C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C20H26N2/c1-17(19-9-5-3-6-10-19)21-13-15-22(16-14-21)18(2)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3/t17-,18+
InChIKeyFQNIOAVLCZLWON-HDICACEKSA-N
MW294.44 g/mol
LogP4.13
Rot. Bonds4

About 1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine

1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine (PubChem CID 3246046) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
PubChem CID3246046
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
SMILESC[C@H](c1ccccc1)N1CCN([C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C20H26N2/c1-17(19-9-5-3-6-10-19)21-13-15-22(16-14-21)18(2)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3/t17-,18+
InChIKeyFQNIOAVLCZLWON-HDICACEKSA-N
XLogP4.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
1-(1-phenylethyl)-4-pyridin-1-ium-1-ylpiperazine
CID 59994470
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone
CID 2050848
1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
CID 15468712
1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine
CID 7085144
1-(1-phenylethyl)-4-propylsulfonylpiperazine
CID 113074030
4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol
CID 82957492
5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane
CID 142625115

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine?
The IUPAC name of 1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine (CID 3246046) is 1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine is C[C@H](c1ccccc1)N1CCN([C@@H](C)c2ccccc2)CC1.
What is the InChIKey of 1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine?
The InChIKey is FQNIOAVLCZLWON-HDICACEKSA-N. The full InChI is InChI=1S/C20H26N2/c1-17(19-9-5-3-6-10-19)21-13-15-22(16-14-21)18(2)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3/t17-,18+.
What are the key properties of 1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine?
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine has a molecular weight of 294.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine is sourced from PubChem (CID 3246046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).