1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine

C20H24N2 — CID 10851217

IUPAC1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
SMILESc1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2/c1-3-7-17(8-4-1)20-15-18(20)16-21-11-13-22(14-12-21)19-9-5-2-6-10-19/h1-10,18,20H,11-16H2/t18-,20-/m1/s1
InChIKeyDDRAKDPEZWFDFW-UYAOXDASSA-N
MW292.43 g/mol
LogP3.61
Rot. Bonds4

About 1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine

1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine (PubChem CID 10851217) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
PubChem CID10851217
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
SMILESc1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2/c1-3-7-17(8-4-1)20-15-18(20)16-21-11-13-22(14-12-21)19-9-5-2-6-10-19/h1-10,18,20H,11-16H2/t18-,20-/m1/s1
InChIKeyDDRAKDPEZWFDFW-UYAOXDASSA-N
XLogP3.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The IUPAC name of 1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine (CID 10851217) is 1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The canonical SMILES for 1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine is c1ccc([C@H]2C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The InChIKey is DDRAKDPEZWFDFW-UYAOXDASSA-N. The full InChI is InChI=1S/C20H24N2/c1-3-7-17(8-4-1)20-15-18(20)16-21-11-13-22(14-12-21)19-9-5-2-6-10-19/h1-10,18,20H,11-16H2/t18-,20-/m1/s1.
What are the key properties of 1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine has a molecular weight of 292.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine is sourced from PubChem (CID 10851217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).