ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine

C15H33N3 — CID 142839680

IUPACethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine
SMILESCC.CN1CCN(CCCN2CCCCC2)CC1
InChIInChI=1S/C13H27N3.C2H6/c1-14-10-12-16(13-11-14)9-5-8-15-6-3-2-4-7-15;1-2/h2-13H2,1H3;1-2H3
InChIKeyWUOXOZSUSBQCTO-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.14
Rot. Bonds4

About ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine

ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine (PubChem CID 142839680) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine
PubChem CID142839680
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Nameethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine
SMILESCC.CN1CCN(CCCN2CCCCC2)CC1
InChIInChI=1S/C13H27N3.C2H6/c1-14-10-12-16(13-11-14)9-5-8-15-6-3-2-4-7-15;1-2/h2-13H2,1H3;1-2H3
InChIKeyWUOXOZSUSBQCTO-UHFFFAOYSA-N
XLogP2.14
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dipiperidinoethane
CID 74733
1,3-Dipiperidinopropane
CID 455456
1-Methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine
CID 455460
Piperidine, 1,1'-(1,2-ethanediyl)bis-, dihydrochloride
CID 121222
1,5-Di(1-piperidinyl)pentane
CID 240409
1-Methyl-1-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
CID 410381
Piperidinium, 1,1'-((methylimino)diethylene)bis(1-ethyl-, dibromide
CID 3048017
1,1'-(Propane-1,3-diyl)bis(1-methylpiperidin-1-ium) diiodide
CID 3048567
Piperidinium, 1,1'-((methylimino)diethylene)bis(1-methyl-, diiodide
CID 3062530
4,4'-(Hexane-1,6-diyl)bis(1,1-dimethylpiperazin-1-ium) diiodide
CID 3065014
Piperidinium, 1,1'-((methylimino)diethylene)bis(1-methyl-, dibromide
CID 3066315
1'-Isopropyl-1,4'-bipiperidine
CID 766862

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine?
The IUPAC name of ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine (CID 142839680) is ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine.
What is the SMILES notation for ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine?
The canonical SMILES for ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine is CC.CN1CCN(CCCN2CCCCC2)CC1.
What is the InChIKey of ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine?
The InChIKey is WUOXOZSUSBQCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.C2H6/c1-14-10-12-16(13-11-14)9-5-8-15-6-3-2-4-7-15;1-2/h2-13H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine?
ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine has a molecular weight of 255.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine is sourced from PubChem (CID 142839680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).