4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide

C15H22N4 — CID 62362512

IUPAC4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide
SMILESN/C(=N\c1ccccc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H22N4/c16-15(17-14-4-2-1-3-5-14)19-10-8-18(9-11-19)12-13-6-7-13/h1-5,13H,6-12H2,(H2,16,17)
InChIKeyOJYVSRAKIJDYGC-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.66
Rot. Bonds3

About 4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide

4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide (PubChem CID 62362512) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide
PubChem CID62362512
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide
SMILESN/C(=N\c1ccccc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H22N4/c16-15(17-14-4-2-1-3-5-14)19-10-8-18(9-11-19)12-13-6-7-13/h1-5,13H,6-12H2,(H2,16,17)
InChIKeyOJYVSRAKIJDYGC-UHFFFAOYSA-N
XLogP1.66
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide?
The IUPAC name of 4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide (CID 62362512) is 4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide is N/C(=N\c1ccccc1)N1CCN(CC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide?
The InChIKey is OJYVSRAKIJDYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c16-15(17-14-4-2-1-3-5-14)19-10-8-18(9-11-19)12-13-6-7-13/h1-5,13H,6-12H2,(H2,16,17).
What are the key properties of 4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide?
4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide has a molecular weight of 258.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N'-phenylpiperazine-1-carboximidamide is sourced from PubChem (CID 62362512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).