1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine

C18H34N2 — CID 65085970

IUPAC1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine
SMILESCCC1CCCC(N2CCCCC2C2CCCN2)CC1
InChIInChI=1S/C18H34N2/c1-2-15-7-5-8-16(12-11-15)20-14-4-3-10-18(20)17-9-6-13-19-17/h15-19H,2-14H2,1H3
InChIKeyQXUTVZDGIHICQG-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.95
Rot. Bonds3

About 1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine

1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine (PubChem CID 65085970) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine
PubChem CID65085970
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine
SMILESCCC1CCCC(N2CCCCC2C2CCCN2)CC1
InChIInChI=1S/C18H34N2/c1-2-15-7-5-8-16(12-11-15)20-14-4-3-10-18(20)17-9-6-13-19-17/h15-19H,2-14H2,1H3
InChIKeyQXUTVZDGIHICQG-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-pyrrolidin-2-ylpiperidine
CID 63935777
1-(2-ethylcyclohexyl)-2-pyrrolidin-2-ylpiperidine
CID 63863432
(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676086
1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62275570
4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571366
1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane
CID 65078027
1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine
CID 62273006
2-pyrrolidin-2-yl-1-spiro[4.5]decan-8-ylpiperidine
CID 114818840
2-pyrrolidin-2-yl-1-(thian-3-yl)piperidine
CID 63256447
6-(4-ethylcycloheptyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678338
2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine
CID 62274739
1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 107449492

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine (CID 65085970) is 1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine is CCC1CCCC(N2CCCCC2C2CCCN2)CC1.
What is the InChIKey of 1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine?
The InChIKey is QXUTVZDGIHICQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-2-15-7-5-8-16(12-11-15)20-14-4-3-10-18(20)17-9-6-13-19-17/h15-19H,2-14H2,1H3.
What are the key properties of 1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine?
1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine has a molecular weight of 278.48 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 65085970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).