1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine

C16H33N3 — CID 134458081

IUPAC1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine
SMILESCCCCC(C)N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-5-6-15(2)18-9-7-16(8-10-18)19-13-11-17(3)12-14-19/h15-16H,4-14H2,1-3H3
InChIKeyMLYRNFYSWTVJHD-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.28
Rot. Bonds5

About 1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine

1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine (PubChem CID 134458081) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine
PubChem CID134458081
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine
SMILESCCCCC(C)N1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-5-6-15(2)18-9-7-16(8-10-18)19-13-11-17(3)12-14-19/h15-16H,4-14H2,1-3H3
InChIKeyMLYRNFYSWTVJHD-UHFFFAOYSA-N
XLogP2.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine?
The IUPAC name of 1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine (CID 134458081) is 1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine?
The canonical SMILES for 1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine is CCCCC(C)N1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine?
The InChIKey is MLYRNFYSWTVJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-5-6-15(2)18-9-7-16(8-10-18)19-13-11-17(3)12-14-19/h15-16H,4-14H2,1-3H3.
What are the key properties of 1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine?
1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine has a molecular weight of 267.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexan-2-ylpiperidin-4-yl)-4-methylpiperazine is sourced from PubChem (CID 134458081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).