2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine

C26H32N4O — CID 86941178

IUPAC2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine
SMILESCc1cc(CNC(CN2CCN(C)CC2)c2ccccc2)ccc1Oc1cccnc1
InChIInChI=1S/C26H32N4O/c1-21-17-22(10-11-26(21)31-24-9-6-12-27-19-24)18-28-25(23-7-4-3-5-8-23)20-30-15-13-29(2)14-16-30/h3-12,17,19,25,28H,13-16,18,20H2,1-2H3
InChIKeyFYWSVLHGFVKZCL-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.26
Rot. Bonds8

About 2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine

2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine (PubChem CID 86941178) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine
PubChem CID86941178
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine
SMILESCc1cc(CNC(CN2CCN(C)CC2)c2ccccc2)ccc1Oc1cccnc1
InChIInChI=1S/C26H32N4O/c1-21-17-22(10-11-26(21)31-24-9-6-12-27-19-24)18-28-25(23-7-4-3-5-8-23)20-30-15-13-29(2)14-16-30/h3-12,17,19,25,28H,13-16,18,20H2,1-2H3
InChIKeyFYWSVLHGFVKZCL-UHFFFAOYSA-N
XLogP4.26
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine with MolForge

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Related Compounds

(1S)-N-[(3,4-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 95265451
4-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 75514937
(3-methyl-4-pyridin-3-yloxyphenyl)methanol
CID 62124917
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 86886112
2-[methyl-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]amino]propanoic acid
CID 122036971
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 86886111
2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 126809472
4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909162
N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78825398
N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78823600
(1S)-N-[(2,5-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 95265427
4-[[(3-methyl-4-pyridin-3-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962532

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine (CID 86941178) is 2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine is Cc1cc(CNC(CN2CCN(C)CC2)c2ccccc2)ccc1Oc1cccnc1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine?
The InChIKey is FYWSVLHGFVKZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-21-17-22(10-11-26(21)31-24-9-6-12-27-19-24)18-28-25(23-7-4-3-5-8-23)20-30-15-13-29(2)14-16-30/h3-12,17,19,25,28H,13-16,18,20H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine?
2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine has a molecular weight of 416.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 86941178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).