1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine

C17H35N3 — CID 59639476

IUPAC1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine
SMILESCC(C)CC1(N2CCN(C)CC2)CCN(C(C)C)CC1
InChIInChI=1S/C17H35N3/c1-15(2)14-17(20-12-10-18(5)11-13-20)6-8-19(9-7-17)16(3)4/h15-16H,6-14H2,1-5H3
InChIKeyURHGVWFTJJGMKG-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.52
Rot. Bonds4

About 1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine

1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine (PubChem CID 59639476) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine
PubChem CID59639476
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine
SMILESCC(C)CC1(N2CCN(C)CC2)CCN(C(C)C)CC1
InChIInChI=1S/C17H35N3/c1-15(2)14-17(20-12-10-18(5)11-13-20)6-8-19(9-7-17)16(3)4/h15-16H,6-14H2,1-5H3
InChIKeyURHGVWFTJJGMKG-UHFFFAOYSA-N
XLogP2.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine?
The IUPAC name of 1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine (CID 59639476) is 1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine?
The canonical SMILES for 1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine is CC(C)CC1(N2CCN(C)CC2)CCN(C(C)C)CC1.
What is the InChIKey of 1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine?
The InChIKey is URHGVWFTJJGMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-15(2)14-17(20-12-10-18(5)11-13-20)6-8-19(9-7-17)16(3)4/h15-16H,6-14H2,1-5H3.
What are the key properties of 1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine?
1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine has a molecular weight of 281.49 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine is sourced from PubChem (CID 59639476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).