4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane

C15H32N2 — CID 170578445

IUPAC4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane
SMILESCC.CCC(C)N1CCC(C2CCNCC2)C1
InChIInChI=1S/C13H26N2.C2H6/c1-3-11(2)15-9-6-13(10-15)12-4-7-14-8-5-12;1-2/h11-14H,3-10H2,1-2H3;1-2H3
InChIKeyLPWQYXOISBDNPZ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds3

About 4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane

4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane (PubChem CID 170578445) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane.

Molecular Properties

Compound Name4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane
PubChem CID170578445
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane
SMILESCC.CCC(C)N1CCC(C2CCNCC2)C1
InChIInChI=1S/C13H26N2.C2H6/c1-3-11(2)15-9-6-13(10-15)12-4-7-14-8-5-12;1-2/h11-14H,3-10H2,1-2H3;1-2H3
InChIKeyLPWQYXOISBDNPZ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 130577937
(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 129229204
(3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850447
6-(1-butan-2-ylazepan-3-yl)-1-ethyl-1,4-diazepane
CID 126747998
3-bromo-1-butan-2-ylpyrrolidine
CID 80675941
1-butan-2-yl-3-chloropyrrolidine
CID 79445434
4-(1-propylpyrrolidin-3-yl)piperidine
CID 117022732
(4aS,7aS)-6-butan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678881
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
1-butan-2-yl-3-methoxypyrrolidine
CID 146427472
3-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)butanenitrile
CID 130684748

Frequently Asked Questions

What is the IUPAC name of 4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane?
The IUPAC name of 4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane (CID 170578445) is 4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane.
What is the SMILES notation for 4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane?
The canonical SMILES for 4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane is CC.CCC(C)N1CCC(C2CCNCC2)C1.
What is the InChIKey of 4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane?
The InChIKey is LPWQYXOISBDNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C2H6/c1-3-11(2)15-9-6-13(10-15)12-4-7-14-8-5-12;1-2/h11-14H,3-10H2,1-2H3;1-2H3.
What are the key properties of 4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane?
4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane has a molecular weight of 240.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane is sourced from PubChem (CID 170578445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).