1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine

C22H41N — CID 175508261

IUPAC1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine
SMILESCCCCC(C1CCCC1)(C1CCCC1)N1CCCCC1CC
InChIInChI=1S/C22H41N/c1-3-5-17-22(19-12-6-7-13-19,20-14-8-9-15-20)23-18-11-10-16-21(23)4-2/h19-21H,3-18H2,1-2H3
InChIKeyCPNCKVJOMDHYLR-UHFFFAOYSA-N
MW319.58 g/mol
LogP6.56
Rot. Bonds7

About 1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine

1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine (PubChem CID 175508261) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is 1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine.

Molecular Properties

Compound Name1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine
PubChem CID175508261
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Name1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine
SMILESCCCCC(C1CCCC1)(C1CCCC1)N1CCCCC1CC
InChIInChI=1S/C22H41N/c1-3-5-17-22(19-12-6-7-13-19,20-14-8-9-15-20)23-18-11-10-16-21(23)4-2/h19-21H,3-18H2,1-2H3
InChIKeyCPNCKVJOMDHYLR-UHFFFAOYSA-N
XLogP6.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine?
The IUPAC name of 1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine (CID 175508261) is 1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine.
What is the SMILES notation for 1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine?
The canonical SMILES for 1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine is CCCCC(C1CCCC1)(C1CCCC1)N1CCCCC1CC.
What is the InChIKey of 1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine?
The InChIKey is CPNCKVJOMDHYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N/c1-3-5-17-22(19-12-6-7-13-19,20-14-8-9-15-20)23-18-11-10-16-21(23)4-2/h19-21H,3-18H2,1-2H3.
What are the key properties of 1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine?
1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine has a molecular weight of 319.58 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dicyclopentylpentyl)-2-ethylpiperidine is sourced from PubChem (CID 175508261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).