ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine

C15H32N2O — CID 142326995

IUPACethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine
SMILESCC.COC1CCN(CC2(C)CCN(C)CC2)C1
InChIInChI=1S/C13H26N2O.C2H6/c1-13(5-8-14(2)9-6-13)11-15-7-4-12(10-15)16-3;1-2/h12H,4-11H2,1-3H3;1-2H3
InChIKeyCFTOTNXSMIPTAK-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.47
Rot. Bonds3

About ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine

ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine (PubChem CID 142326995) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine.

Molecular Properties

Compound Nameethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine
PubChem CID142326995
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Nameethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine
SMILESCC.COC1CCN(CC2(C)CCN(C)CC2)C1
InChIInChI=1S/C13H26N2O.C2H6/c1-13(5-8-14(2)9-6-13)11-15-7-4-12(10-15)16-3;1-2/h12H,4-11H2,1-3H3;1-2H3
InChIKeyCFTOTNXSMIPTAK-UHFFFAOYSA-N
XLogP2.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Dimethyl-1-(oxiran-2-ylmethyl)piperidine
CID 18435018
(s)-4,4-Dimethyl-1-(oxiranylmethyl)-piperidine
CID 53909022
1-(4,4-Dimethylpentyl)-3-methoxypyrrolidine
CID 59751861
2-(2-Methoxyethyl)-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 124186475
1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine
CID 129180825
1-Methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine
CID 130400155
4-[(3-Methoxypyrrolidin-1-yl)methyl]-4-methyl-1-propan-2-ylpiperidine
CID 134505374
1-Tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine
CID 135165028
4-[(3-Ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
CID 135173871
1-Tert-butyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine
CID 135174709
1-Ethyl-4-[(3-methoxypyrrolidin-1-yl)methyl]piperidine
CID 135179493
1-(2-Methoxy-3,3-dimethylbutyl)piperidine
CID 139652101

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine?
The IUPAC name of ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine (CID 142326995) is ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine.
What is the SMILES notation for ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine?
The canonical SMILES for ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine is CC.COC1CCN(CC2(C)CCN(C)CC2)C1.
What is the InChIKey of ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine?
The InChIKey is CFTOTNXSMIPTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C2H6/c1-13(5-8-14(2)9-6-13)11-15-7-4-12(10-15)16-3;1-2/h12H,4-11H2,1-3H3;1-2H3.
What are the key properties of ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine?
ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine has a molecular weight of 256.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine is sourced from PubChem (CID 142326995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).