(3S)-3-methyl-1,4-di(propan-2-yl)piperidine

C12H25N — CID 139299028

IUPAC(3S)-3-methyl-1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CCN(C(C)C)C[C@H]1C
InChIInChI=1S/C12H25N/c1-9(2)12-6-7-13(10(3)4)8-11(12)5/h9-12H,6-8H2,1-5H3/t11-,12?/m1/s1
InChIKeyJPGQGMAMWYBEKY-JHJMLUEUSA-N
MW183.34 g/mol
LogP3.01
Rot. Bonds2

About (3S)-3-methyl-1,4-di(propan-2-yl)piperidine

(3S)-3-methyl-1,4-di(propan-2-yl)piperidine (PubChem CID 139299028) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (3S)-3-methyl-1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1,4-di(propan-2-yl)piperidine
PubChem CID139299028
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(3S)-3-methyl-1,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CCN(C(C)C)C[C@H]1C
InChIInChI=1S/C12H25N/c1-9(2)12-6-7-13(10(3)4)8-11(12)5/h9-12H,6-8H2,1-5H3/t11-,12?/m1/s1
InChIKeyJPGQGMAMWYBEKY-JHJMLUEUSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
(3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine
CID 172541479
(3R,4S)-1,4-di(propan-2-yl)piperidin-3-ol
CID 155636797
3,4-dimethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine
CID 170616755
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine
CID 171506094
(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine
CID 134195627
3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 171505974
3,5-dimethyl-1,4-di(propan-2-yl)piperidine
CID 171506139
(2R,7R)-1,2,7-trimethyl-4-propan-2-yl-1,4-diazepane
CID 176748171

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1,4-di(propan-2-yl)piperidine?
The IUPAC name of (3S)-3-methyl-1,4-di(propan-2-yl)piperidine (CID 139299028) is (3S)-3-methyl-1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for (3S)-3-methyl-1,4-di(propan-2-yl)piperidine?
The canonical SMILES for (3S)-3-methyl-1,4-di(propan-2-yl)piperidine is CC(C)C1CCN(C(C)C)C[C@H]1C.
What is the InChIKey of (3S)-3-methyl-1,4-di(propan-2-yl)piperidine?
The InChIKey is JPGQGMAMWYBEKY-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)12-6-7-13(10(3)4)8-11(12)5/h9-12H,6-8H2,1-5H3/t11-,12?/m1/s1.
What are the key properties of (3S)-3-methyl-1,4-di(propan-2-yl)piperidine?
(3S)-3-methyl-1,4-di(propan-2-yl)piperidine has a molecular weight of 183.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 139299028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).