ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine

C15H31NO — CID 171786139

IUPACethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine
SMILESCC.CCC1(CCN2CCC(OC)CC2)CC1
InChIInChI=1S/C13H25NO.C2H6/c1-3-13(6-7-13)8-11-14-9-4-12(15-2)5-10-14;1-2/h12H,3-11H2,1-2H3;1-2H3
InChIKeyPYBLVAIDXKFONN-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.70
Rot. Bonds5

About ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine

ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine (PubChem CID 171786139) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine.

Molecular Properties

Compound Nameethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine
PubChem CID171786139
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine
SMILESCC.CCC1(CCN2CCC(OC)CC2)CC1
InChIInChI=1S/C13H25NO.C2H6/c1-3-13(6-7-13)8-11-14-9-4-12(15-2)5-10-14;1-2/h12H,3-11H2,1-2H3;1-2H3
InChIKeyPYBLVAIDXKFONN-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromoethyl)-4-methoxypiperidine
CID 61286304
1-[(4-ethylpiperidin-4-yl)methyl]-4-methoxypiperidine
CID 55177605
1-butyl-4-methoxypiperidine
CID 58602973
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
[1-[2-(4-ethoxypiperidin-1-yl)ethyl]cyclobutyl]methanamine
CID 81169483
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine
CID 65002170
2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498439
1-[2-(3-methoxypyrrolidin-1-yl)ethyl]cyclopentan-1-amine
CID 103534662
(4-methoxypiperidin-1-yl)methanamine
CID 129270206
1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine
CID 66473510
N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560572
11-(4-methoxypiperidin-1-yl)undecan-3-one
CID 171786440

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine?
The IUPAC name of ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine (CID 171786139) is ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine.
What is the SMILES notation for ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine?
The canonical SMILES for ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine is CC.CCC1(CCN2CCC(OC)CC2)CC1.
What is the InChIKey of ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine?
The InChIKey is PYBLVAIDXKFONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C2H6/c1-3-13(6-7-13)8-11-14-9-4-12(15-2)5-10-14;1-2/h12H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine?
ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine has a molecular weight of 241.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine is sourced from PubChem (CID 171786139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).