2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C18H33N3 — CID 170022407

IUPAC2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CCC(N2CCCC(N3CC4CCCC4C3)C2)CC1
InChIInChI=1S/C18H33N3/c1-19-10-7-17(8-11-19)20-9-3-6-18(14-20)21-12-15-4-2-5-16(15)13-21/h15-18H,2-14H2,1H3
InChIKeyJIYIZASKCRHFMU-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.28
Rot. Bonds2

About 2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 170022407) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID170022407
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CCC(N2CCCC(N3CC4CCCC4C3)C2)CC1
InChIInChI=1S/C18H33N3/c1-19-10-7-17(8-11-19)20-9-3-6-18(14-20)21-12-15-4-2-5-16(15)13-21/h15-18H,2-14H2,1H3
InChIKeyJIYIZASKCRHFMU-UHFFFAOYSA-N
XLogP2.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552910
6-(1-methylazepan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678465
1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine
CID 62977717
2-methyl-5-(1-methylpyrrolidin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155218522
(3aR,5S,6S,7aS)-2-(1-methylpiperidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 131940845
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
2-cyclobutyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926329
1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
CID 167091081
1-methyl-4-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]piperidine
CID 169257843
2-[1-(1,1-dimethylpiperidin-1-ium-3-yl)piperidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 175622635
3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane
CID 64944124
2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
CID 65072818

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 170022407) is 2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CN1CCC(N2CCCC(N3CC4CCCC4C3)C2)CC1.
What is the InChIKey of 2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is JIYIZASKCRHFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-19-10-7-17(8-11-19)20-9-3-6-18(14-20)21-12-15-4-2-5-16(15)13-21/h15-18H,2-14H2,1H3.
What are the key properties of 2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 291.48 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 170022407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).