1-methanidyl-4-pyrrolidin-1-ylpiperidine

C10H19N2- — CID 20723224

IUPAC1-methanidyl-4-pyrrolidin-1-ylpiperidine
SMILES[CH2-]N1CCC(N2CCCC2)CC1
InChIInChI=1S/C10H19N2/c1-11-8-4-10(5-9-11)12-6-2-3-7-12/h10H,1-9H2/q-1
InChIKeyDDOPUOJKZILYNL-UHFFFAOYSA-N
MW167.28 g/mol
LogP1.34
Rot. Bonds1

About 1-methanidyl-4-pyrrolidin-1-ylpiperidine

1-methanidyl-4-pyrrolidin-1-ylpiperidine (PubChem CID 20723224) has the molecular formula C10H19N2- and a molecular weight of 167.28 g/mol. Its IUPAC name is 1-methanidyl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-methanidyl-4-pyrrolidin-1-ylpiperidine
PubChem CID20723224
Molecular FormulaC10H19N2-
Molecular Weight167.28 g/mol
Exact Mass167.16
IUPAC Name1-methanidyl-4-pyrrolidin-1-ylpiperidine
SMILES[CH2-]N1CCC(N2CCCC2)CC1
InChIInChI=1S/C10H19N2/c1-11-8-4-10(5-9-11)12-6-2-3-7-12/h10H,1-9H2/q-1
InChIKeyDDOPUOJKZILYNL-UHFFFAOYSA-N
XLogP1.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.34
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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Related Compounds

1-methanidyl-4-piperidin-1-ylpiperidine
CID 20723188
1-cyclopropylpiperidine
CID 10909573
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
1-cyclohexylpiperidine;methane
CID 143122486
4-piperidin-1-yl-1-sulfanylpiperidine
CID 90720397
CID 175727151
CID 175727151
4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexan-1-amine
CID 62806389
2-(1-cyclopropylpyrrolidin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929879
4-(azepan-1-yl)cyclohexan-1-amine
CID 62807611
4-pyrrolidin-1-ylcyclohexan-1-amine;dihydrochloride
CID 119057158

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-methanidyl-4-pyrrolidin-1-ylpiperidine (CID 20723224) is 1-methanidyl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-methanidyl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-methanidyl-4-pyrrolidin-1-ylpiperidine is [CH2-]N1CCC(N2CCCC2)CC1.
What is the InChIKey of 1-methanidyl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is DDOPUOJKZILYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2/c1-11-8-4-10(5-9-11)12-6-2-3-7-12/h10H,1-9H2/q-1.
What are the key properties of 1-methanidyl-4-pyrrolidin-1-ylpiperidine?
1-methanidyl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 167.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 20723224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).