ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine

C22H45N3 — CID 177135021

IUPACethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine
SMILESCC.CCN1CCC(CN2CCC(N3CCC(C(C)C)CC3)CC2)C1
InChIInChI=1S/C20H39N3.C2H6/c1-4-21-10-5-18(15-21)16-22-11-8-20(9-12-22)23-13-6-19(7-14-23)17(2)3;1-2/h17-20H,4-16H2,1-3H3;1-2H3
InChIKeyKZFIBSITAOXDAA-UHFFFAOYSA-N
MW351.62 g/mol
LogP4.19
Rot. Bonds5

About ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine

ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine (PubChem CID 177135021) has the molecular formula C22H45N3 and a molecular weight of 351.62 g/mol. Its IUPAC name is ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine.

Molecular Properties

Compound Nameethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine
PubChem CID177135021
Molecular FormulaC22H45N3
Molecular Weight351.62 g/mol
Exact Mass351.36
IUPAC Nameethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine
SMILESCC.CCN1CCC(CN2CCC(N3CCC(C(C)C)CC3)CC2)C1
InChIInChI=1S/C20H39N3.C2H6/c1-4-21-10-5-18(15-21)16-22-11-8-20(9-12-22)23-13-6-19(7-14-23)17(2)3;1-2/h17-20H,4-16H2,1-3H3;1-2H3
InChIKeyKZFIBSITAOXDAA-UHFFFAOYSA-N
XLogP4.19
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine
CID 167479940
4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane
CID 170613244
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167282451
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1,3-diethylpyrrolidine;ethane
CID 145103245
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836
1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60857529
3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 166113215

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine?
The IUPAC name of ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine (CID 177135021) is ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine.
What is the SMILES notation for ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine?
The canonical SMILES for ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine is CC.CCN1CCC(CN2CCC(N3CCC(C(C)C)CC3)CC2)C1.
What is the InChIKey of ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine?
The InChIKey is KZFIBSITAOXDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3.C2H6/c1-4-21-10-5-18(15-21)16-22-11-8-20(9-12-22)23-13-6-19(7-14-23)17(2)3;1-2/h17-20H,4-16H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine?
ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine has a molecular weight of 351.62 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine is sourced from PubChem (CID 177135021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).