N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine

C18H31N3 — CID 155200662

IUPACN-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine
SMILESCNC(C)c1ccc(CN2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-15(2)13-20-9-11-21(12-10-20)14-17-5-7-18(8-6-17)16(3)19-4/h5-8,15-16,19H,9-14H2,1-4H3
InChIKeyGRDSWOBLQVCVHZ-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.74
Rot. Bonds6

About N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine

N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine (PubChem CID 155200662) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine
PubChem CID155200662
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine
SMILESCNC(C)c1ccc(CN2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C18H31N3/c1-15(2)13-20-9-11-21(12-10-20)14-17-5-7-18(8-6-17)16(3)19-4/h5-8,15-16,19H,9-14H2,1-4H3
InChIKeyGRDSWOBLQVCVHZ-UHFFFAOYSA-N
XLogP2.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
CID 167264369
N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen
CID 155740671
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443
2-methyl-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43252940
N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
CID 76948994
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 62776718
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 105346444
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine (CID 155200662) is N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine is CNC(C)c1ccc(CN2CCN(CC(C)C)CC2)cc1.
What is the InChIKey of N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine?
The InChIKey is GRDSWOBLQVCVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)13-20-9-11-21(12-10-20)14-17-5-7-18(8-6-17)16(3)19-4/h5-8,15-16,19H,9-14H2,1-4H3.
What are the key properties of N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine?
N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine has a molecular weight of 289.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine is sourced from PubChem (CID 155200662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).