ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine

C14H30N2 — CID 166478727

IUPACethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESCC.CCC1CCN(CC2CCNC2)CC1
InChIInChI=1S/C12H24N2.C2H6/c1-2-11-4-7-14(8-5-11)10-12-3-6-13-9-12;1-2/h11-13H,2-10H2,1H3;1-2H3
InChIKeyNDXHTXOADNTYDE-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds3

About ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine

ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine (PubChem CID 166478727) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine.

Molecular Properties

Compound Nameethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
PubChem CID166478727
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Nameethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESCC.CCC1CCN(CC2CCNC2)CC1
InChIInChI=1S/C12H24N2.C2H6/c1-2-11-4-7-14(8-5-11)10-12-3-6-13-9-12;1-2/h11-13H,2-10H2,1H3;1-2H3
InChIKeyNDXHTXOADNTYDE-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
ethane;3-ethylpyrrolidine
CID 143803201
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 86323550
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 115022041
1-(1-ethylpiperidin-4-yl)-4-(pyrrolidin-3-ylmethyl)piperazine
CID 170063851
ethane;(1S,5R)-6-[(4-ethylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 166478781
ethane;3-ethylpyrrolidine;molecular hydrogen
CID 143963843
3,4-dimethyl-1-(pyrrolidin-3-ylmethyl)pyrrolidine
CID 79188343
1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine
CID 177134839
4-ethyl-1-pyrrolidin-3-ylpiperidine
CID 62328798

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine?
The IUPAC name of ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine (CID 166478727) is ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine.
What is the SMILES notation for ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine?
The canonical SMILES for ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine is CC.CCC1CCN(CC2CCNC2)CC1.
What is the InChIKey of ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine?
The InChIKey is NDXHTXOADNTYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C2H6/c1-2-11-4-7-14(8-5-11)10-12-3-6-13-9-12;1-2/h11-13H,2-10H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine?
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine is sourced from PubChem (CID 166478727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).