N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine

C18H31N3 — CID 63620144

IUPACN-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCN1CCN(Cc2ccccc2CNC(C)C)CC1C
InChIInChI=1S/C18H31N3/c1-5-21-11-10-20(13-16(21)4)14-18-9-7-6-8-17(18)12-19-15(2)3/h6-9,15-16,19H,5,10-14H2,1-4H3
InChIKeyXHEBHNBBCUKZIS-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.71
Rot. Bonds6

About N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine

N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 63620144) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
PubChem CID63620144
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCN1CCN(Cc2ccccc2CNC(C)C)CC1C
InChIInChI=1S/C18H31N3/c1-5-21-11-10-20(13-16(21)4)14-18-9-7-6-8-17(18)12-19-15(2)3/h6-9,15-16,19H,5,10-14H2,1-4H3
InChIKeyXHEBHNBBCUKZIS-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63621667
N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 115464074
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]methyl]propan-2-amine
CID 115562255
2-[[4,7-bis[(2-hydroxyphenyl)methyl]-5-methyl-1,4,7-triazonan-1-yl]methyl]phenol
CID 167685812
N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247566
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107115581
2-chloro-3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]quinoline
CID 63611068
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 63620637
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 63620967
4-bromo-2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol
CID 82980898
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 63620639

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine (CID 63620144) is N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine is CCN1CCN(Cc2ccccc2CNC(C)C)CC1C.
What is the InChIKey of N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is XHEBHNBBCUKZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-21-11-10-20(13-16(21)4)14-18-9-7-6-8-17(18)12-19-15(2)3/h6-9,15-16,19H,5,10-14H2,1-4H3.
What are the key properties of N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine?
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63620144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).