4-(5-methyl-3H-pyrrol-4-yl)piperidine

C10H16N2 — CID 160571174

IUPAC4-(5-methyl-3H-pyrrol-4-yl)piperidine
SMILESCC1=C(C2CCNCC2)CC=N1
InChIInChI=1S/C10H16N2/c1-8-10(4-7-12-8)9-2-5-11-6-3-9/h7,9,11H,2-6H2,1H3
InChIKeyLDNDANNGAZYCJT-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.73
Rot. Bonds1

About 4-(5-methyl-3H-pyrrol-4-yl)piperidine

4-(5-methyl-3H-pyrrol-4-yl)piperidine (PubChem CID 160571174) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(5-methyl-3H-pyrrol-4-yl)piperidine.

Molecular Properties

Compound Name4-(5-methyl-3H-pyrrol-4-yl)piperidine
PubChem CID160571174
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(5-methyl-3H-pyrrol-4-yl)piperidine
SMILESCC1=C(C2CCNCC2)CC=N1
InChIInChI=1S/C10H16N2/c1-8-10(4-7-12-8)9-2-5-11-6-3-9/h7,9,11H,2-6H2,1H3
InChIKeyLDNDANNGAZYCJT-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
methane;5-methyl-2-piperidin-4-ylpyrimidine
CID 157310053
2,4-dimethyl-6-piperidin-4-yl-1,3,5-triazine
CID 82468969
(5-piperidin-4-yl-1,3-oxazol-2-yl)methanol
CID 115016152
4-(5-methyl-1H-imidazol-2-yl)piperidine
CID 22096510
ethane;4-(4-methylphenyl)piperidine
CID 145467036
4,5,6-trimethyl-2-piperidin-4-ylpyrimidine
CID 63317217
6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride
CID 23112449
5-methyl-3-piperidin-4-yl-1H-pyrazol-4-amine
CID 165446837
4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole
CID 84795509

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3H-pyrrol-4-yl)piperidine?
The IUPAC name of 4-(5-methyl-3H-pyrrol-4-yl)piperidine (CID 160571174) is 4-(5-methyl-3H-pyrrol-4-yl)piperidine.
What is the SMILES notation for 4-(5-methyl-3H-pyrrol-4-yl)piperidine?
The canonical SMILES for 4-(5-methyl-3H-pyrrol-4-yl)piperidine is CC1=C(C2CCNCC2)CC=N1.
What is the InChIKey of 4-(5-methyl-3H-pyrrol-4-yl)piperidine?
The InChIKey is LDNDANNGAZYCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-10(4-7-12-8)9-2-5-11-6-3-9/h7,9,11H,2-6H2,1H3.
What are the key properties of 4-(5-methyl-3H-pyrrol-4-yl)piperidine?
4-(5-methyl-3H-pyrrol-4-yl)piperidine has a molecular weight of 164.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3H-pyrrol-4-yl)piperidine is sourced from PubChem (CID 160571174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).