1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine

C16H33N3 — CID 64937578

IUPAC1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCCN1CCC(CN2CC(C)NCC2C(C)C)CC1
InChIInChI=1S/C16H33N3/c1-5-18-8-6-15(7-9-18)12-19-11-14(4)17-10-16(19)13(2)3/h13-17H,5-12H2,1-4H3
InChIKeyAXBMYQMWNDCAJG-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds4

About 1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine

1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64937578) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine
PubChem CID64937578
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCCN1CCC(CN2CC(C)NCC2C(C)C)CC1
InChIInChI=1S/C16H33N3/c1-5-18-8-6-15(7-9-18)12-19-11-14(4)17-10-16(19)13(2)3/h13-17H,5-12H2,1-4H3
InChIKeyAXBMYQMWNDCAJG-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine (CID 64937578) is 1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine is CCN1CCC(CN2CC(C)NCC2C(C)C)CC1.
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is AXBMYQMWNDCAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-18-8-6-15(7-9-18)12-19-11-14(4)17-10-16(19)13(2)3/h13-17H,5-12H2,1-4H3.
What are the key properties of 1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine?
1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).