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

C18H42N2O — CID 142390528

IUPACethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
SMILESCC.CC.CC.COC1CCN(CC2CCN(C)CC2)C1
InChIInChI=1S/C12H24N2O.3C2H6/c1-13-6-3-11(4-7-13)9-14-8-5-12(10-14)15-2;3*1-2/h11-12H,3-10H2,1-2H3;3*1-2H3
InChIKeyPNVWOZVBMHUREP-UHFFFAOYSA-N
MW302.55 g/mol
LogP4.13
Rot. Bonds3

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

ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine (PubChem CID 142390528) has the molecular formula C18H42N2O and a molecular weight of 302.55 g/mol. Its IUPAC name is ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine.

Molecular Properties

Compound Nameethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
PubChem CID142390528
Molecular FormulaC18H42N2O
Molecular Weight302.55 g/mol
Exact Mass302.33
IUPAC Nameethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
SMILESCC.CC.CC.COC1CCN(CC2CCN(C)CC2)C1
InChIInChI=1S/C12H24N2O.3C2H6/c1-13-6-3-11(4-7-13)9-14-8-5-12(10-14)15-2;3*1-2/h11-12H,3-10H2,1-2H3;3*1-2H3
InChIKeyPNVWOZVBMHUREP-UHFFFAOYSA-N
XLogP4.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol
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1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
methanol;3-methoxy-1-methylpyrrolidine
CID 164878451
4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
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CID 103534683
ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol
CID 168976522
1-(2-cyclobutylphenyl)-4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]piperidine
CID 175321758
ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane
CID 168901872
5-(3-methoxypyrrolidin-1-yl)pentan-2-amine
CID 103532229
4-ethyl-3-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 165137857
1,1-difluoro-2-methoxyethane;ethane;(3S)-3-methoxy-1-methylpyrrolidine
CID 177009726

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine?
The IUPAC name of ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine (CID 142390528) is ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine.
What is the SMILES notation for ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine?
The canonical SMILES for ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine is CC.CC.CC.COC1CCN(CC2CCN(C)CC2)C1.
What is the InChIKey of ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine?
The InChIKey is PNVWOZVBMHUREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.3C2H6/c1-13-6-3-11(4-7-13)9-14-8-5-12(10-14)15-2;3*1-2/h11-12H,3-10H2,1-2H3;3*1-2H3.
What are the key properties of ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine?
ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine has a molecular weight of 302.55 g/mol, XLogP of 4.13, 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-methylpiperidine is sourced from PubChem (CID 142390528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).