5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine

C15H29N3 — CID 162741705

IUPAC5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCN1CCC(CN2CC3CCN(C)CC3C2)CC1
InChIInChI=1S/C15H29N3/c1-16-6-3-13(4-7-16)9-18-11-14-5-8-17(2)10-15(14)12-18/h13-15H,3-12H2,1-2H3
InChIKeySSOVWPDUHWFBPM-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.21
Rot. Bonds2

About 5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine

5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 162741705) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID162741705
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCN1CCC(CN2CC3CCN(C)CC3C2)CC1
InChIInChI=1S/C15H29N3/c1-16-6-3-13(4-7-16)9-18-11-14-5-8-17(2)10-15(14)12-18/h13-15H,3-12H2,1-2H3
InChIKeySSOVWPDUHWFBPM-UHFFFAOYSA-N
XLogP1.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine with MolForge

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Related Compounds

2-methyl-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 167091235
6-methyl-3-[(1-methylpiperidin-4-yl)methyl]-3-azabicyclo[3.1.1]heptane
CID 176984978
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 169319806
(3aR,7aS)-5-ethyl-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 177154446
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438
ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine
CID 170581839
(3aS,6aR)-5-(azetidin-1-ium-3-ylmethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 162741958
5-(azetidin-3-ylmethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 162741770
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol
CID 177318564

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine (CID 162741705) is 5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine is CN1CCC(CN2CC3CCN(C)CC3C2)CC1.
What is the InChIKey of 5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is SSOVWPDUHWFBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-16-6-3-13(4-7-16)9-18-11-14-5-8-17(2)10-15(14)12-18/h13-15H,3-12H2,1-2H3.
What are the key properties of 5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 251.42 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 162741705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).