(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine

C14H20N2 — CID 169115914

IUPAC(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine
SMILESC[C@@H]1CN[C@@H](c2ccccc2)CN1C1CC1
InChIInChI=1S/C14H20N2/c1-11-9-15-14(10-16(11)13-7-8-13)12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,14-/m1/s1
InChIKeyWLNPUTNULWXRPJ-BXUZGUMPSA-N
MW216.33 g/mol
LogP2.18
Rot. Bonds2

About (2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine

(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine (PubChem CID 169115914) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine
PubChem CID169115914
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine
SMILESC[C@@H]1CN[C@@H](c2ccccc2)CN1C1CC1
InChIInChI=1S/C14H20N2/c1-11-9-15-14(10-16(11)13-7-8-13)12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,14-/m1/s1
InChIKeyWLNPUTNULWXRPJ-BXUZGUMPSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine?
The IUPAC name of (2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine (CID 169115914) is (2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine.
What is the SMILES notation for (2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine?
The canonical SMILES for (2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine is C[C@@H]1CN[C@@H](c2ccccc2)CN1C1CC1.
What is the InChIKey of (2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine?
The InChIKey is WLNPUTNULWXRPJ-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-9-15-14(10-16(11)13-7-8-13)12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3/t11-,14-/m1/s1.
What are the key properties of (2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine?
(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine has a molecular weight of 216.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine is sourced from PubChem (CID 169115914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).