3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine — IUPAC name, SMILES, InChIKey & properties

Name: 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine

3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine (PubChem CID 158455618) has the molecular formula C147H301FN16 and a molecular weight of 2312.13 g/mol. Its IUPAC name is 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine.

Molecular Properties

Compound Name	3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine
PubChem CID	158455618
Molecular Formula	C147H301FN16
Molecular Weight	2312.13 g/mol
Exact Mass	2310.40
IUPAC Name	3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine
SMILES	CC(C)N1CC2CC2C1.CC(C)N1CC2CCC2C1.CC(C)N1CC2CCCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1
InChI	InChI=1S/C11H21N.C10H19N.2C10H21N.C9H18FN.C9H17N.8C9H19N.C8H15N.C8H17N/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)11-6-9-4-3-5-10(9)7-11;1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11;1-8(2)11-6-4-5-9(3,10)7-11;1-7(2)10-5-8-3-4-9(8)6-10;21-8(2)10-6-4-9(3)5-7-10;61-8(2)10-6-4-5-9(3)7-10;1-6(2)9-4-7-3-8(7)5-9;1-8(2)9-6-4-3-5-7-9/h9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;29H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;88-9H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3;8H,3-7H2,1-2H3/t;;;;;;;;6*9-;;/m........111000../s1
InChIKey	HENMLJKYQZVQSK-AMDMNGDJSA-N
XLogP	33.87
TPSA	51.84 Å²
H-Bond Donors
H-Bond Acceptors	16
Rotatable Bonds	16
Heavy Atoms	164
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2312.13
LogP ≤ 5	33.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Analyze 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine?

The IUPAC name of 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine (CID 158455618) is 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine.

What is the SMILES notation for 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine?

The canonical SMILES for 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine is CC(C)N1CC2CC2C1.CC(C)N1CC2CCC2C1.CC(C)N1CC2CCCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.

What is the InChIKey of 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine?

The InChIKey is HENMLJKYQZVQSK-AMDMNGDJSA-N. The full InChI is InChI=1S/C11H21N.C10H19N.2C10H21N.C9H18FN.C9H17N.8C9H19N.C8H15N.C8H17N/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)11-6-9-4-3-5-10(9)7-11;1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11;1-8(2)11-6-4-5-9(3,10)7-11;1-7(2)10-5-8-3-4-9(8)6-10;2*1-8(2)10-6-4-9(3)5-7-10;6*1-8(2)10-6-4-5-9(3)7-10;1-6(2)9-4-7-3-8(7)5-9;1-8(2)9-6-4-3-5-7-9/h9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;2*9H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;8*8-9H,4-7H2,1-3H3;6-8H,3-5H2,1-2H3;8H,3-7H2,1-2H3/t;;;;;;;;6*9-;;/m........111000../s1.

What are the key properties of 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine?

Where does this data come from?

All data for 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine is sourced from PubChem (CID 158455618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).