2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine

C16H25N3 — CID 65480516

IUPAC2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine
SMILESNCCC1(CN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C16H25N3/c17-9-8-16(6-7-16)14-18-10-12-19(13-11-18)15-4-2-1-3-5-15/h1-5H,6-14,17H2
InChIKeyPYNPJBIDBPREHK-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.94
Rot. Bonds5

About 2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine

2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine (PubChem CID 65480516) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine
PubChem CID65480516
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine
SMILESNCCC1(CN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C16H25N3/c17-9-8-16(6-7-16)14-18-10-12-19(13-11-18)15-4-2-1-3-5-15/h1-5H,6-14,17H2
InChIKeyPYNPJBIDBPREHK-UHFFFAOYSA-N
XLogP1.94
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine (CID 65480516) is 2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine is NCCC1(CN2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine?
The InChIKey is PYNPJBIDBPREHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c17-9-8-16(6-7-16)14-18-10-12-19(13-11-18)15-4-2-1-3-5-15/h1-5H,6-14,17H2.
What are the key properties of 2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine?
2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine has a molecular weight of 259.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65480516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).