4-(3H-pyrrol-5-ylmethyl)piperidine

C10H16N2 — CID 54520917

IUPAC4-(3H-pyrrol-5-ylmethyl)piperidine
SMILESC1=NC(CC2CCNCC2)=CC1
InChIInChI=1S/C10H16N2/c1-2-10(12-5-1)8-9-3-6-11-7-4-9/h2,5,9,11H,1,3-4,6-8H2
InChIKeyYPSZVRBQCUKDSA-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.73
Rot. Bonds2

About 4-(3H-pyrrol-5-ylmethyl)piperidine

4-(3H-pyrrol-5-ylmethyl)piperidine (PubChem CID 54520917) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(3H-pyrrol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(3H-pyrrol-5-ylmethyl)piperidine
PubChem CID54520917
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(3H-pyrrol-5-ylmethyl)piperidine
SMILESC1=NC(CC2CCNCC2)=CC1
InChIInChI=1S/C10H16N2/c1-2-10(12-5-1)8-9-3-6-11-7-4-9/h2,5,9,11H,1,3-4,6-8H2
InChIKeyYPSZVRBQCUKDSA-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 142921049
N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine
CID 170199610
1,6-Naphthyridine-d8
CID 129654637
3a,4,5,9,9a,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline
CID 20464566
2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline
CID 20554697
2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
CID 20641669
2-Piperidin-4-ylpyrrol-2-amine
CID 57461956
6-Methyl-3-piperidin-4-yl-3,4-dihydropyridine
CID 69355119
3a,4,6,7,8,8a,9,9a-octahydro-1H-pyrrolo[3,4-b]quinoline
CID 70529458
6-Piperidin-3-yl-3,4-dihydropyridine
CID 90103419
ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
CID 90763652
(2E)-4-methyl-2-piperidin-3-ylidene-4,5-dihydro-3H-pyridine
CID 90918902

Frequently Asked Questions

What is the IUPAC name of 4-(3H-pyrrol-5-ylmethyl)piperidine?
The IUPAC name of 4-(3H-pyrrol-5-ylmethyl)piperidine (CID 54520917) is 4-(3H-pyrrol-5-ylmethyl)piperidine.
What is the SMILES notation for 4-(3H-pyrrol-5-ylmethyl)piperidine?
The canonical SMILES for 4-(3H-pyrrol-5-ylmethyl)piperidine is C1=NC(CC2CCNCC2)=CC1.
What is the InChIKey of 4-(3H-pyrrol-5-ylmethyl)piperidine?
The InChIKey is YPSZVRBQCUKDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-10(12-5-1)8-9-3-6-11-7-4-9/h2,5,9,11H,1,3-4,6-8H2.
What are the key properties of 4-(3H-pyrrol-5-ylmethyl)piperidine?
4-(3H-pyrrol-5-ylmethyl)piperidine has a molecular weight of 164.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-pyrrol-5-ylmethyl)piperidine is sourced from PubChem (CID 54520917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).