2-(pyrrol-1-ylmethyl)piperidine

C10H16N2 — CID 54001676

IUPAC2-(pyrrol-1-ylmethyl)piperidine
SMILESc1ccn(CC2CCCCN2)c1
InChIInChI=1S/C10H16N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-12/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyKMBFBAQPXODVJW-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.63
Rot. Bonds2

About 2-(pyrrol-1-ylmethyl)piperidine

2-(pyrrol-1-ylmethyl)piperidine (PubChem CID 54001676) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(pyrrol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name2-(pyrrol-1-ylmethyl)piperidine
PubChem CID54001676
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-(pyrrol-1-ylmethyl)piperidine
SMILESc1ccn(CC2CCCCN2)c1
InChIInChI=1S/C10H16N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-12/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyKMBFBAQPXODVJW-UHFFFAOYSA-N
XLogP1.63
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
CID 94889645
1-(pyrrolidin-2-ylmethyl)pyrazole
CID 25220770
7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
CID 131123539
1-[[(2R)-piperidin-2-yl]methyl]piperidin-4-ol
CID 86323612
2-[(3-phenylazetidin-1-yl)methyl]piperidine
CID 79677520
(2S,6R)-2,6-dimethyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141709
(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 130522631
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
2-(3,6-dihydro-2H-pyridin-1-ylmethyl)azepane
CID 114410507
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrol-1-ylmethyl)piperidine?
The IUPAC name of 2-(pyrrol-1-ylmethyl)piperidine (CID 54001676) is 2-(pyrrol-1-ylmethyl)piperidine.
What is the SMILES notation for 2-(pyrrol-1-ylmethyl)piperidine?
The canonical SMILES for 2-(pyrrol-1-ylmethyl)piperidine is c1ccn(CC2CCCCN2)c1.
What is the InChIKey of 2-(pyrrol-1-ylmethyl)piperidine?
The InChIKey is KMBFBAQPXODVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-12/h3-4,7-8,10-11H,1-2,5-6,9H2.
What are the key properties of 2-(pyrrol-1-ylmethyl)piperidine?
2-(pyrrol-1-ylmethyl)piperidine has a molecular weight of 164.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrol-1-ylmethyl)piperidine is sourced from PubChem (CID 54001676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).