1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine

C18H28N2 — CID 64847979

IUPAC1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine
SMILESCC(C)CC1CN(CC2CC2)C(c2ccccc2)CN1
InChIInChI=1S/C18H28N2/c1-14(2)10-17-13-20(12-15-8-9-15)18(11-19-17)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13H2,1-2H3
InChIKeyAHXGDVBWQBUYJY-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.46
Rot. Bonds5

About 1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine

1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine (PubChem CID 64847979) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine
PubChem CID64847979
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine
SMILESCC(C)CC1CN(CC2CC2)C(c2ccccc2)CN1
InChIInChI=1S/C18H28N2/c1-14(2)10-17-13-20(12-15-8-9-15)18(11-19-17)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13H2,1-2H3
InChIKeyAHXGDVBWQBUYJY-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine?
The IUPAC name of 1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine (CID 64847979) is 1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine is CC(C)CC1CN(CC2CC2)C(c2ccccc2)CN1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine?
The InChIKey is AHXGDVBWQBUYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)10-17-13-20(12-15-8-9-15)18(11-19-17)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine?
1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(2-methylpropyl)-2-phenylpiperazine is sourced from PubChem (CID 64847979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).