(3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine

C11H21N — CID 130637645

IUPAC(3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine
SMILESCC(C)=CCN1CCC[C@H](C)C1
InChIInChI=1S/C11H21N/c1-10(2)6-8-12-7-4-5-11(3)9-12/h6,11H,4-5,7-9H2,1-3H3/t11-/m0/s1
InChIKeyAAWHGJSKVFOVPI-NSHDSACASA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds2

About (3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine

(3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine (PubChem CID 130637645) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine
PubChem CID130637645
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine
SMILESCC(C)=CCN1CCC[C@H](C)C1
InChIInChI=1S/C11H21N/c1-10(2)6-8-12-7-4-5-11(3)9-12/h6,11H,4-5,7-9H2,1-3H3/t11-/m0/s1
InChIKeyAAWHGJSKVFOVPI-NSHDSACASA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;1-ethyl-3-methylpiperidine
CID 91361629
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
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CID 156729460
3-methyl-1-propylpiperidine;propane
CID 145147959
1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine
CID 144825282
N,3-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 107899411
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
1-(3-methylpiperidin-1-yl)butan-2-one
CID 62039923
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
2-amino-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 64797165
3-(3-methylpiperidin-1-yl)propanethioamide
CID 24690100

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine?
The IUPAC name of (3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine (CID 130637645) is (3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine.
What is the SMILES notation for (3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine?
The canonical SMILES for (3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine is CC(C)=CCN1CCC[C@H](C)C1.
What is the InChIKey of (3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine?
The InChIKey is AAWHGJSKVFOVPI-NSHDSACASA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)6-8-12-7-4-5-11(3)9-12/h6,11H,4-5,7-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine?
(3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 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-(3-methylbut-2-enyl)piperidine is sourced from PubChem (CID 130637645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).