4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine

C16H33N3 — CID 70996991

IUPAC4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine
SMILESCCN1CCC(N2CC(C)(C)N(C)C(C)(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-7-18-10-8-14(9-11-18)19-12-15(2,3)17(6)16(4,5)13-19/h14H,7-13H2,1-6H3
InChIKeyMJMOEKIKSZLYNM-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.28
Rot. Bonds2

About 4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine

4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine (PubChem CID 70996991) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine.

Molecular Properties

Compound Name4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine
PubChem CID70996991
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine
SMILESCCN1CCC(N2CC(C)(C)N(C)C(C)(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-7-18-10-8-14(9-11-18)19-12-15(2,3)17(6)16(4,5)13-19/h14H,7-13H2,1-6H3
InChIKeyMJMOEKIKSZLYNM-UHFFFAOYSA-N
XLogP2.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine?
The IUPAC name of 4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine (CID 70996991) is 4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine.
What is the SMILES notation for 4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine?
The canonical SMILES for 4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine is CCN1CCC(N2CC(C)(C)N(C)C(C)(C)C2)CC1.
What is the InChIKey of 4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine?
The InChIKey is MJMOEKIKSZLYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-7-18-10-8-14(9-11-18)19-12-15(2,3)17(6)16(4,5)13-19/h14H,7-13H2,1-6H3.
What are the key properties of 4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine?
4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine has a molecular weight of 267.46 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine is sourced from PubChem (CID 70996991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).