1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine

C18H37N3 — CID 146604413

IUPAC1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCC(C)(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-16(2)21-14-12-20(13-15-21)11-8-18(3,4)17-6-9-19(5)10-7-17/h16-17H,6-15H2,1-5H3
InChIKeyRTDIMVOUIDVXMJ-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.77
Rot. Bonds5

About 1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine

1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine (PubChem CID 146604413) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine
PubChem CID146604413
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCC(C)(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C18H37N3/c1-16(2)21-14-12-20(13-15-21)11-8-18(3,4)17-6-9-19(5)10-7-17/h16-17H,6-15H2,1-5H3
InChIKeyRTDIMVOUIDVXMJ-UHFFFAOYSA-N
XLogP2.77
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine (CID 146604413) is 1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(CCC(C)(C)C2CCN(C)CC2)CC1.
What is the InChIKey of 1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine?
The InChIKey is RTDIMVOUIDVXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-16(2)21-14-12-20(13-15-21)11-8-18(3,4)17-6-9-19(5)10-7-17/h16-17H,6-15H2,1-5H3.
What are the key properties of 1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine?
1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine has a molecular weight of 295.51 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 146604413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).