1-(piperidin-1-ylmethyl)piperidine

C11H21N2- — CID 101267351

IUPAC1-(piperidin-1-ylmethyl)piperidine
SMILES[CH-](N1CCCCC1)N1CCCCC1
InChIInChI=1S/C11H21N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h11H,1-10H2/q-1
InChIKeyVCBQTPKWCWCTOE-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.08
Rot. Bonds2

About 1-(piperidin-1-ylmethyl)piperidine

1-(piperidin-1-ylmethyl)piperidine (PubChem CID 101267351) has the molecular formula C11H21N2- and a molecular weight of 181.30 g/mol. Its IUPAC name is 1-(piperidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(piperidin-1-ylmethyl)piperidine
PubChem CID101267351
Molecular FormulaC11H21N2-
Molecular Weight181.30 g/mol
Exact Mass181.17
IUPAC Name1-(piperidin-1-ylmethyl)piperidine
SMILES[CH-](N1CCCCC1)N1CCCCC1
InChIInChI=1S/C11H21N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h11H,1-10H2/q-1
InChIKeyVCBQTPKWCWCTOE-UHFFFAOYSA-N
XLogP2.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ylmethyl)piperidine?
The IUPAC name of 1-(piperidin-1-ylmethyl)piperidine (CID 101267351) is 1-(piperidin-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(piperidin-1-ylmethyl)piperidine?
The canonical SMILES for 1-(piperidin-1-ylmethyl)piperidine is [CH-](N1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-(piperidin-1-ylmethyl)piperidine?
The InChIKey is VCBQTPKWCWCTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h11H,1-10H2/q-1.
What are the key properties of 1-(piperidin-1-ylmethyl)piperidine?
1-(piperidin-1-ylmethyl)piperidine has a molecular weight of 181.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ylmethyl)piperidine is sourced from PubChem (CID 101267351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).