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

C17H29N3 — CID 63620637

IUPACN-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1CN1CCN(C)C(C)C1
InChIInChI=1S/C17H29N3/c1-4-9-18-12-16-7-5-6-8-17(16)14-20-11-10-19(3)15(2)13-20/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyQEPQYMXZZWLWIH-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds6

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

N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine (PubChem CID 63620637) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
PubChem CID63620637
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1CN1CCN(C)C(C)C1
InChIInChI=1S/C17H29N3/c1-4-9-18-12-16-7-5-6-8-17(16)14-20-11-10-19(3)15(2)13-20/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyQEPQYMXZZWLWIH-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 63620639
2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide
CID 115465501
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55070158
N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 115464074
N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 102968090
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63608579
N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62427122
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55216612
N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 63633408
N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 79184325
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63620144

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine (CID 63620637) is N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1CN1CCN(C)C(C)C1.
What is the InChIKey of N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is QEPQYMXZZWLWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-9-18-12-16-7-5-6-8-17(16)14-20-11-10-19(3)15(2)13-20/h5-8,15,18H,4,9-14H2,1-3H3.
What are the key properties of N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine?
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63620637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).