2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine

C18H34N2 — CID 81321562

IUPAC2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine
SMILESCC1CC(C)(C)CCC1N1CCCCC1C1CCCN1
InChIInChI=1S/C18H34N2/c1-14-13-18(2,3)10-9-16(14)20-12-5-4-8-17(20)15-7-6-11-19-15/h14-17,19H,4-13H2,1-3H3
InChIKeyMEZNOSOXRTZKAS-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.81
Rot. Bonds2

About 2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine

2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine (PubChem CID 81321562) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine
PubChem CID81321562
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine
SMILESCC1CC(C)(C)CCC1N1CCCCC1C1CCCN1
InChIInChI=1S/C18H34N2/c1-14-13-18(2,3)10-9-16(14)20-12-5-4-8-17(20)15-7-6-11-19-15/h14-17,19H,4-13H2,1-3H3
InChIKeyMEZNOSOXRTZKAS-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-pyrrolidin-2-ylpiperidine
CID 63935777
1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 64756807
1-(5,5-dimethylthian-3-yl)-2-pyrrolidin-2-ylpiperidine
CID 79946618
1-(2-methoxycyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 106873240
1-(2-ethylcyclohexyl)-2-pyrrolidin-2-ylpiperidine
CID 63863432
2-pyrrolidin-2-yl-1-spiro[4.5]decan-8-ylpiperidine
CID 114818840
1-(4,4-dimethylthian-3-yl)-2-pyrrolidin-2-ylpiperidine
CID 79949011
2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)cyclohexan-1-ol
CID 62273749
1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine
CID 65085970
3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 55169145
1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 107449492
2-pyrrolidin-2-yl-1-spiro[3.5]nonan-3-ylpyrrolidine
CID 102952516

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine?
The IUPAC name of 2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine (CID 81321562) is 2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine?
The canonical SMILES for 2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine is CC1CC(C)(C)CCC1N1CCCCC1C1CCCN1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine?
The InChIKey is MEZNOSOXRTZKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-14-13-18(2,3)10-9-16(14)20-12-5-4-8-17(20)15-7-6-11-19-15/h14-17,19H,4-13H2,1-3H3.
What are the key properties of 2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine?
2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine has a molecular weight of 278.48 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-(2,4,4-trimethylcyclohexyl)piperidine is sourced from PubChem (CID 81321562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).