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

C18H34N2 — CID 167285951

IUPAC2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC(C)N1CCC(C(C)(C)N2CC3CCCC3C2)CC1
InChIInChI=1S/C18H34N2/c1-14(2)19-10-8-17(9-11-19)18(3,4)20-12-15-6-5-7-16(15)13-20/h14-17H,5-13H2,1-4H3
InChIKeyMIISTYMZDRCDOV-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.62
Rot. Bonds3

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

2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 167285951) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID167285951
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC(C)N1CCC(C(C)(C)N2CC3CCCC3C2)CC1
InChIInChI=1S/C18H34N2/c1-14(2)19-10-8-17(9-11-19)18(3,4)20-12-15-6-5-7-16(15)13-20/h14-17H,5-13H2,1-4H3
InChIKeyMIISTYMZDRCDOV-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidine
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1-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 171743044
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol
CID 170928468
4-[1-[1-[2-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidin-4-yl]ethyl]morpholine
CID 155260302
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
2-[2-(4-cyclopropylpiperidin-1-yl)propan-2-yl]-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 131989875
2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 156551467
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
(3aR,6aS)-5-tert-butyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155702594
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 167285951) is 2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC(C)N1CCC(C(C)(C)N2CC3CCCC3C2)CC1.
What is the InChIKey of 2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is MIISTYMZDRCDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-14(2)19-10-8-17(9-11-19)18(3,4)20-12-15-6-5-7-16(15)13-20/h14-17H,5-13H2,1-4H3.
What are the key properties of 2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 278.48 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 167285951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).