3,5-dimethyl-1,4-di(propan-2-yl)piperidine

C13H27N — CID 171506139

IUPAC3,5-dimethyl-1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1C(C)CN(C(C)C)CC1C
InChIInChI=1S/C13H27N/c1-9(2)13-11(5)7-14(10(3)4)8-12(13)6/h9-13H,7-8H2,1-6H3
InChIKeyBLOAMQNNVWUKOW-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.25
Rot. Bonds2

About 3,5-dimethyl-1,4-di(propan-2-yl)piperidine

3,5-dimethyl-1,4-di(propan-2-yl)piperidine (PubChem CID 171506139) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3,5-dimethyl-1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1,4-di(propan-2-yl)piperidine
PubChem CID171506139
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3,5-dimethyl-1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1C(C)CN(C(C)C)CC1C
InChIInChI=1S/C13H27N/c1-9(2)13-11(5)7-14(10(3)4)8-12(13)6/h9-13H,7-8H2,1-6H3
InChIKeyBLOAMQNNVWUKOW-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
(3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine
CID 172541479
4-methoxy-3,5-dimethyl-1-propan-2-ylpiperidine
CID 118444678
(3S)-3-methyl-1,4-di(propan-2-yl)piperidine
CID 139299028
2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane
CID 176594257
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 58030182
(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
1,2,4-trimethyl-3-propan-2-ylpyrrolidine
CID 170106865
3,5-dimethyl-1-propan-2-ylpiperidin-4-one
CID 59563444
(3aR,6aS)-5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166871486

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,4-di(propan-2-yl)piperidine?
The IUPAC name of 3,5-dimethyl-1,4-di(propan-2-yl)piperidine (CID 171506139) is 3,5-dimethyl-1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 3,5-dimethyl-1,4-di(propan-2-yl)piperidine?
The canonical SMILES for 3,5-dimethyl-1,4-di(propan-2-yl)piperidine is CC(C)C1C(C)CN(C(C)C)CC1C.
What is the InChIKey of 3,5-dimethyl-1,4-di(propan-2-yl)piperidine?
The InChIKey is BLOAMQNNVWUKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-9(2)13-11(5)7-14(10(3)4)8-12(13)6/h9-13H,7-8H2,1-6H3.
What are the key properties of 3,5-dimethyl-1,4-di(propan-2-yl)piperidine?
3,5-dimethyl-1,4-di(propan-2-yl)piperidine has a molecular weight of 197.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 171506139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).