ethane;1-methylpiperazine;4-methylpiperidine

C15H37N3 — CID 145158402

IUPACethane;1-methylpiperazine;4-methylpiperidine
SMILESCC.CC.CC1CCNCC1.CN1CCNCC1
InChIInChI=1S/C6H13N.C5H12N2.2C2H6/c1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;2*1-2/h6-7H,2-5H2,1H3;6H,2-5H2,1H3;2*1-2H3
InChIKeyVZGACDCQKYUPRK-UHFFFAOYSA-N
MW259.48 g/mol
LogP2.58
Rot. Bonds

About ethane;1-methylpiperazine;4-methylpiperidine

ethane;1-methylpiperazine;4-methylpiperidine (PubChem CID 145158402) has the molecular formula C15H37N3 and a molecular weight of 259.48 g/mol. Its IUPAC name is ethane;1-methylpiperazine;4-methylpiperidine.

Molecular Properties

Compound Nameethane;1-methylpiperazine;4-methylpiperidine
PubChem CID145158402
Molecular FormulaC15H37N3
Molecular Weight259.48 g/mol
Exact Mass259.30
IUPAC Nameethane;1-methylpiperazine;4-methylpiperidine
SMILESCC.CC.CC1CCNCC1.CN1CCNCC1
InChIInChI=1S/C6H13N.C5H12N2.2C2H6/c1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;2*1-2/h6-7H,2-5H2,1H3;6H,2-5H2,1H3;2*1-2H3
InChIKeyVZGACDCQKYUPRK-UHFFFAOYSA-N
XLogP2.58
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
N,N'-bis(piperidin-4-ylmethyl)butane-1,4-diamine
CID 9882218
4-(2-Diethylaminoethyl)piperidine
CID 296294
4-Methyl-1,4'-bipiperidine
CID 795715
Dimethyl(2-(piperidin-4-yl)ethyl)amine
CID 1415681
1-Methyl-4-(piperidin-3-ylmethyl)piperazine
CID 20668416
1-Methyl-4-(piperidin-4-ylmethyl)piperazine
CID 23391792
1-Methyl-4-[2-(piperidin-4-yl)ethyl]piperazine
CID 4778264
N1-(4-piperidinylmethyl)-1,2-ethanediamine
CID 252485
N,N'-bis(2-piperidin-4-ylethyl)butane-1,4-diamine
CID 9818175
(1-(2-(Dimethylamino)ethyl)piperidin-4-yl)methanamine
CID 28397654
2-(4-Methylpiperidin-1-yl)ethan-1-amine
CID 783700

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpiperazine;4-methylpiperidine?
The IUPAC name of ethane;1-methylpiperazine;4-methylpiperidine (CID 145158402) is ethane;1-methylpiperazine;4-methylpiperidine.
What is the SMILES notation for ethane;1-methylpiperazine;4-methylpiperidine?
The canonical SMILES for ethane;1-methylpiperazine;4-methylpiperidine is CC.CC.CC1CCNCC1.CN1CCNCC1.
What is the InChIKey of ethane;1-methylpiperazine;4-methylpiperidine?
The InChIKey is VZGACDCQKYUPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H12N2.2C2H6/c1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;2*1-2/h6-7H,2-5H2,1H3;6H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;1-methylpiperazine;4-methylpiperidine?
ethane;1-methylpiperazine;4-methylpiperidine has a molecular weight of 259.48 g/mol, XLogP of 2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpiperazine;4-methylpiperidine is sourced from PubChem (CID 145158402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).