ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine

C20H45N3O2 — CID 171082723

IUPACethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine
SMILESCC.CC.COCCCN1CCN(CCCOC2CCNCC2)CC1
InChIInChI=1S/C16H33N3O2.2C2H6/c1-20-14-2-8-18-10-12-19(13-11-18)9-3-15-21-16-4-6-17-7-5-16;2*1-2/h16-17H,2-15H2,1H3;2*1-2H3
InChIKeyQWXDCJNBOGYWAE-UHFFFAOYSA-N
MW359.60 g/mol
LogP2.85
Rot. Bonds9

About ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine

ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine (PubChem CID 171082723) has the molecular formula C20H45N3O2 and a molecular weight of 359.60 g/mol. Its IUPAC name is ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine.

Molecular Properties

Compound Nameethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine
PubChem CID171082723
Molecular FormulaC20H45N3O2
Molecular Weight359.60 g/mol
Exact Mass359.35
IUPAC Nameethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine
SMILESCC.CC.COCCCN1CCN(CCCOC2CCNCC2)CC1
InChIInChI=1S/C16H33N3O2.2C2H6/c1-20-14-2-8-18-10-12-19(13-11-18)9-3-15-21-16-4-6-17-7-5-16;2*1-2/h16-17H,2-15H2,1H3;2*1-2H3
InChIKeyQWXDCJNBOGYWAE-UHFFFAOYSA-N
XLogP2.85
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(Piperidin-4-yloxy)ethyl]morpholine
CID 43167820
1-Methyl-4-(piperidin-4-yloxy)piperidine dihydrochloride
CID 23079656
[2-(4-Methoxypiperidin-1-yl)ethyl](methyl)amine
CID 43373044
1-(1-Methylethyl)-4-(4-piperidinyloxy)piperidine
CID 11623565
1-Methyl-4-(piperidin-4-yloxy)piperidine
CID 23079657
4,4'-Oxydipiperidine
CID 23341402
1-(3-Piperidin-4-yloxypropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 63904376
2-(4-Propan-2-yloxypiperidin-1-yl)ethanamine
CID 54475174
N-(2-piperidin-1-ylethyl)-3-propan-2-yloxypropan-1-amine
CID 60691033
1-[2-(4-Methoxypiperidin-1-yl)ethyl]piperazine
CID 60850386
N-ethyl-2-(4-methoxypiperidin-1-yl)ethanamine
CID 61386654
2-(4-ethoxypiperidin-1-yl)-N-ethylethanamine
CID 61387270

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine?
The IUPAC name of ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine (CID 171082723) is ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine.
What is the SMILES notation for ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine?
The canonical SMILES for ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine is CC.CC.COCCCN1CCN(CCCOC2CCNCC2)CC1.
What is the InChIKey of ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine?
The InChIKey is QWXDCJNBOGYWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2.2C2H6/c1-20-14-2-8-18-10-12-19(13-11-18)9-3-15-21-16-4-6-17-7-5-16;2*1-2/h16-17H,2-15H2,1H3;2*1-2H3.
What are the key properties of ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine?
ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine has a molecular weight of 359.60 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine is sourced from PubChem (CID 171082723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).