N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine

C16H27N3 — CID 55216612

IUPACN-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCN(C)C(C)C2)c1
InChIInChI=1S/C16H27N3/c1-4-17-11-15-6-5-7-16(10-15)13-19-9-8-18(3)14(2)12-19/h5-7,10,14,17H,4,8-9,11-13H2,1-3H3
InChIKeyBQDNLYQCNZRJJM-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.93
Rot. Bonds5

About N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine

N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 55216612) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID55216612
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCN(C)C(C)C2)c1
InChIInChI=1S/C16H27N3/c1-4-17-11-15-6-5-7-16(10-15)13-19-9-8-18(3)14(2)12-19/h5-7,10,14,17H,4,8-9,11-13H2,1-3H3
InChIKeyBQDNLYQCNZRJJM-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63619611
N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62425610
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine
CID 64583996
N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62433615
N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine
CID 66371224
3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 63610928
4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621224
4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
CID 82973086
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 63620637
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479
5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621067

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine (CID 55216612) is N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine is CCNCc1cccc(CN2CCN(C)C(C)C2)c1.
What is the InChIKey of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is BQDNLYQCNZRJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-17-11-15-6-5-7-16(10-15)13-19-9-8-18(3)14(2)12-19/h5-7,10,14,17H,4,8-9,11-13H2,1-3H3.
What are the key properties of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 55216612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).