[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine

C18H23N3 — CID 18071299

IUPAC[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccccc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H23N3/c19-14-16-6-4-5-7-17(16)15-20-10-12-21(13-11-20)18-8-2-1-3-9-18/h1-9H,10-15,19H2
InChIKeyZZHCKLZZRXPGSD-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.47
Rot. Bonds4

About [2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine

[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine (PubChem CID 18071299) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is [2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine
PubChem CID18071299
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESNCc1ccccc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H23N3/c19-14-16-6-4-5-7-17(16)15-20-10-12-21(13-11-20)18-8-2-1-3-9-18/h1-9H,10-15,19H2
InChIKeyZZHCKLZZRXPGSD-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine (CID 18071299) is [2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine is NCc1ccccc1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine?
The InChIKey is ZZHCKLZZRXPGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c19-14-16-6-4-5-7-17(16)15-20-10-12-21(13-11-20)18-8-2-1-3-9-18/h1-9H,10-15,19H2.
What are the key properties of [2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine?
[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine has a molecular weight of 281.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 18071299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).