4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine

C11H18N2 — CID 58578279

IUPAC4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine
SMILESCC1=C(C)N=C(C2CCNCC2)C1
InChIInChI=1S/C11H18N2/c1-8-7-11(13-9(8)2)10-3-5-12-6-4-10/h10,12H,3-7H2,1-2H3
InChIKeyOKEHBASCDSGGKX-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.12
Rot. Bonds1

About 4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine

4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine (PubChem CID 58578279) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine.

Molecular Properties

Compound Name4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine
PubChem CID58578279
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine
SMILESCC1=C(C)N=C(C2CCNCC2)C1
InChIInChI=1S/C11H18N2/c1-8-7-11(13-9(8)2)10-3-5-12-6-4-10/h10,12H,3-7H2,1-2H3
InChIKeyOKEHBASCDSGGKX-UHFFFAOYSA-N
XLogP2.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4-Difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine
CID 178160345
5,7-dimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine
CID 129929860
3,5,7-trimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine
CID 129929861
carbanide;4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidin-1-ide;tungsten(2+)
CID 58578320
2-Methyl-3-[(1-methyl-5-propyl-2,3-dihydropyrrol-4-yl)methyl]piperidine
CID 90843847
(2E)-4-methyl-2-piperidin-3-ylidene-4,5-dihydro-3H-pyridine
CID 90918902
2-methyl-N-[3-(2-methylcyclohexen-1-yl)iminobutan-2-yl]cyclohexan-1-amine
CID 91402890
N-(1-piperidin-4-ylidenepropyl)hexan-2-imine
CID 91508186
2,3,8-Trimethyl-1,2,5,6,7,8-hexahydroquinoxaline
CID 118890960
(Z)-4-amino-N',3-dimethyl-2-(4-methylpiperidin-3-yl)pent-3-enimidamide
CID 122468378
N-(1-piperidin-4-ylidenebutyl)propan-2-imine
CID 123598376
4-(3-Methylhexan-2-ylidene)piperidin-3-imine
CID 123972348

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine?
The IUPAC name of 4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine (CID 58578279) is 4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine.
What is the SMILES notation for 4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine?
The canonical SMILES for 4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine is CC1=C(C)N=C(C2CCNCC2)C1.
What is the InChIKey of 4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine?
The InChIKey is OKEHBASCDSGGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-7-11(13-9(8)2)10-3-5-12-6-4-10/h10,12H,3-7H2,1-2H3.
What are the key properties of 4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine?
4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine has a molecular weight of 178.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine is sourced from PubChem (CID 58578279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).