ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine

C19H42N2 — CID 178154612

IUPACethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
SMILESCC.CC.CCN1CCC(CN2CCC(C(C)C)C2)CC1
InChIInChI=1S/C15H30N2.2C2H6/c1-4-16-8-5-14(6-9-16)11-17-10-7-15(12-17)13(2)3;2*1-2/h13-15H,4-12H2,1-3H3;2*1-2H3
InChIKeyZXYIPENUYWRXGF-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.75
Rot. Bonds4

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

ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine (PubChem CID 178154612) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Nameethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
PubChem CID178154612
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Nameethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
SMILESCC.CC.CCN1CCC(CN2CCC(C(C)C)C2)CC1
InChIInChI=1S/C15H30N2.2C2H6/c1-4-16-8-5-14(6-9-16)11-17-10-7-15(12-17)13(2)3;2*1-2/h13-15H,4-12H2,1-3H3;2*1-2H3
InChIKeyZXYIPENUYWRXGF-UHFFFAOYSA-N
XLogP4.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine
CID 167479940
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177135021
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane
CID 170613244
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836
ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156885432
1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167282451
1,4-diethylpiperidine;ethane
CID 143709904
8-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 166461736

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine (CID 178154612) is ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine is CC.CC.CCN1CCC(CN2CCC(C(C)C)C2)CC1.
What is the InChIKey of ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine?
The InChIKey is ZXYIPENUYWRXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.2C2H6/c1-4-16-8-5-14(6-9-16)11-17-10-7-15(12-17)13(2)3;2*1-2/h13-15H,4-12H2,1-3H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine?
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine has a molecular weight of 298.56 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 178154612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).