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

C19H25N3 — CID 18070759

IUPAC[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCN1CCN(Cc2ccccc2CN)C(c2ccccc2)C1
InChIInChI=1S/C19H25N3/c1-21-11-12-22(14-18-10-6-5-9-17(18)13-20)19(15-21)16-7-3-2-4-8-16/h2-10,19H,11-15,20H2,1H3
InChIKeyCSSCZGVWTYTBHD-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.63
Rot. Bonds4

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

[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine (PubChem CID 18070759) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is [2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
PubChem CID18070759
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCN1CCN(Cc2ccccc2CN)C(c2ccccc2)C1
InChIInChI=1S/C19H25N3/c1-21-11-12-22(14-18-10-6-5-9-17(18)13-20)19(15-21)16-7-3-2-4-8-16/h2-10,19H,11-15,20H2,1H3
InChIKeyCSSCZGVWTYTBHD-UHFFFAOYSA-N
XLogP2.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine
CID 62263763
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine
CID 43650407
3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine
CID 103366096
[5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62425279
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
[3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 62263578
(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine
CID 124742417
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine (CID 18070759) is [2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine is CN1CCN(Cc2ccccc2CN)C(c2ccccc2)C1.
What is the InChIKey of [2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine?
The InChIKey is CSSCZGVWTYTBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-21-11-12-22(14-18-10-6-5-9-17(18)13-20)19(15-21)16-7-3-2-4-8-16/h2-10,19H,11-15,20H2,1H3.
What are the key properties of [2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine?
[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine has a molecular weight of 295.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 18070759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).