2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine

C17H29N3 — CID 105347692

IUPAC2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(CN2CCN(C)C(C)C2)cc1
InChIInChI=1S/C17H29N3/c1-14(11-18-3)17-7-5-16(6-8-17)13-20-10-9-19(4)15(2)12-20/h5-8,14-15,18H,9-13H2,1-4H3
InChIKeyRZAAJCSJXSIGGH-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.15
Rot. Bonds5

About 2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine

2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine (PubChem CID 105347692) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
PubChem CID105347692
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(CN2CCN(C)C(C)C2)cc1
InChIInChI=1S/C17H29N3/c1-14(11-18-3)17-7-5-16(6-8-17)13-20-10-9-19(4)15(2)12-20/h5-8,14-15,18H,9-13H2,1-4H3
InChIKeyRZAAJCSJXSIGGH-UHFFFAOYSA-N
XLogP2.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347946
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 105346444
4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
CID 82973086
2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105346519
4-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 98533465
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetic acid
CID 105346018
1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine
CID 155471370
2-[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347648
4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621224
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63619611
1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771028
5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621067

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine (CID 105347692) is 2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine is CNCC(C)c1ccc(CN2CCN(C)C(C)C2)cc1.
What is the InChIKey of 2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine?
The InChIKey is RZAAJCSJXSIGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14(11-18-3)17-7-5-16(6-8-17)13-20-10-9-19(4)15(2)12-20/h5-8,14-15,18H,9-13H2,1-4H3.
What are the key properties of 2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine?
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 105347692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).