1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine

C15H30N4 — CID 53384439

IUPAC1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine
SMILESCN1CCN(C2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C15H30N4/c1-17-10-12-19(13-11-17)15-4-8-18(9-5-15)14-2-6-16-7-3-14/h14-16H,2-13H2,1H3
InChIKeyVVNRVKMOTTTYKS-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.45
Rot. Bonds2

About 1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine

1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine (PubChem CID 53384439) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine
PubChem CID53384439
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine
SMILESCN1CCN(C2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C15H30N4/c1-17-10-12-19(13-11-17)15-4-8-18(9-5-15)14-2-6-16-7-3-14/h14-16H,2-13H2,1H3
InChIKeyVVNRVKMOTTTYKS-UHFFFAOYSA-N
XLogP0.45
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine?
The IUPAC name of 1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine (CID 53384439) is 1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine is CN1CCN(C2CCN(C3CCNCC3)CC2)CC1.
What is the InChIKey of 1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine?
The InChIKey is VVNRVKMOTTTYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-17-10-12-19(13-11-17)15-4-8-18(9-5-15)14-2-6-16-7-3-14/h14-16H,2-13H2,1H3.
What are the key properties of 1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine?
1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine has a molecular weight of 266.43 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-piperidin-4-ylpiperidin-4-yl)piperazine is sourced from PubChem (CID 53384439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).