2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine

C21H41N3 — CID 91321858

IUPAC2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine
SMILESCCN1CCC(C2(C3CCN(C(C)C)CC3)CCCCN2C)CC1
InChIInChI=1S/C21H41N3/c1-5-23-14-8-19(9-15-23)21(12-6-7-13-22(21)4)20-10-16-24(17-11-20)18(2)3/h18-20H,5-17H2,1-4H3
InChIKeyQQNMDALOSMHJAF-UHFFFAOYSA-N
MW335.58 g/mol
LogP3.69
Rot. Bonds4

About 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine

2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine (PubChem CID 91321858) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine
PubChem CID91321858
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine
SMILESCCN1CCC(C2(C3CCN(C(C)C)CC3)CCCCN2C)CC1
InChIInChI=1S/C21H41N3/c1-5-23-14-8-19(9-15-23)21(12-6-7-13-22(21)4)20-10-16-24(17-11-20)18(2)3/h18-20H,5-17H2,1-4H3
InChIKeyQQNMDALOSMHJAF-UHFFFAOYSA-N
XLogP3.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Temekhin
CID 160185
Imechine
CID 162046
2,2,6,6-Tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine
CID 46232835
2,2,6,6-Tetramethyl-1-[10-(2,2,6,6-tetramethylpiperidin-1-yl)decyl]piperidine
CID 46232797
2,2,6,6-Tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine
CID 46232834
Quinuclidine, 3-(1-methyl-2-pyrrolidinyl)-
CID 208203
2,2,6,6-Tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine
CID 46232796
2,2,6,6-Tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine
CID 46232798
2,2,6,6-Tetramethyl-1-azabicyclo[2.2.2]octane
CID 160186
Quinuclidine, exo-2,2,6-trimethyl-
CID 154189474
2,2-Dimethyl-1-azaadamantane
CID 14973201
Ethyl quinuclidine
CID 16736728

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine (CID 91321858) is 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine is CCN1CCC(C2(C3CCN(C(C)C)CC3)CCCCN2C)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine?
The InChIKey is QQNMDALOSMHJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-5-23-14-8-19(9-15-23)21(12-6-7-13-22(21)4)20-10-16-24(17-11-20)18(2)3/h18-20H,5-17H2,1-4H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine?
2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine has a molecular weight of 335.58 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-1-methyl-2-(1-propan-2-ylpiperidin-4-yl)piperidine is sourced from PubChem (CID 91321858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).