1-(piperidin-1-ylmethyl)piperazine

C10H21N3 — CID 20508970

IUPAC1-(piperidin-1-ylmethyl)piperazine
SMILESC1CCN(CN2CCNCC2)CC1
InChIInChI=1S/C10H21N3/c1-2-6-12(7-3-1)10-13-8-4-11-5-9-13/h11H,1-10H2
InChIKeyKVLJOFWEXBZYEM-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.34
Rot. Bonds2

About 1-(piperidin-1-ylmethyl)piperazine

1-(piperidin-1-ylmethyl)piperazine (PubChem CID 20508970) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(piperidin-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(piperidin-1-ylmethyl)piperazine
PubChem CID20508970
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-(piperidin-1-ylmethyl)piperazine
SMILESC1CCN(CN2CCNCC2)CC1
InChIInChI=1S/C10H21N3/c1-2-6-12(7-3-1)10-13-8-4-11-5-9-13/h11H,1-10H2
InChIKeyKVLJOFWEXBZYEM-UHFFFAOYSA-N
XLogP0.34
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ylmethyl)piperazine?
The IUPAC name of 1-(piperidin-1-ylmethyl)piperazine (CID 20508970) is 1-(piperidin-1-ylmethyl)piperazine.
What is the SMILES notation for 1-(piperidin-1-ylmethyl)piperazine?
The canonical SMILES for 1-(piperidin-1-ylmethyl)piperazine is C1CCN(CN2CCNCC2)CC1.
What is the InChIKey of 1-(piperidin-1-ylmethyl)piperazine?
The InChIKey is KVLJOFWEXBZYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-2-6-12(7-3-1)10-13-8-4-11-5-9-13/h11H,1-10H2.
What are the key properties of 1-(piperidin-1-ylmethyl)piperazine?
1-(piperidin-1-ylmethyl)piperazine has a molecular weight of 183.30 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ylmethyl)piperazine is sourced from PubChem (CID 20508970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).