1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine

C16H34N4 — CID 43665481

IUPAC1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCCCN1CCN(C)CC1
InChIInChI=1S/C16H34N4/c1-14-13-19(4)15(2)12-16(14)17-6-5-7-20-10-8-18(3)9-11-20/h14-17H,5-13H2,1-4H3
InChIKeyNVPMVDBEORAFAE-UHFFFAOYSA-N
MW282.48 g/mol
LogP0.94
Rot. Bonds5

About 1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine

1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine (PubChem CID 43665481) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
PubChem CID43665481
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCCCN1CCN(C)CC1
InChIInChI=1S/C16H34N4/c1-14-13-19(4)15(2)12-16(14)17-6-5-7-20-10-8-18(3)9-11-20/h14-17H,5-13H2,1-4H3
InChIKeyNVPMVDBEORAFAE-UHFFFAOYSA-N
XLogP0.94
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 54860823
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine
CID 54967617
(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine
CID 93258445
N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 60890113
N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 5149120
2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 93258534
2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
CID 64775564
1,2,5-trimethyl-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
CID 43665520
N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 60981234
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 64762279
N-(1,3-dimethylpiperidin-4-yl)-1,2,5-trimethylpiperidin-4-amine
CID 113261212
(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol
CID 124526610

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine (CID 43665481) is 1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine is CC1CN(C)C(C)CC1NCCCN1CCN(C)CC1.
What is the InChIKey of 1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine?
The InChIKey is NVPMVDBEORAFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-14-13-19(4)15(2)12-16(14)17-6-5-7-20-10-8-18(3)9-11-20/h14-17H,5-13H2,1-4H3.
What are the key properties of 1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine?
1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine has a molecular weight of 282.48 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine is sourced from PubChem (CID 43665481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).