(2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine

C9H17N — CID 101274474

IUPAC(2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/[C@@H]1CCC[C@@H](C)N1
InChIInChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9-/m1/s1
InChIKeyCXQRNYIKPJXYLU-ZZDZINKYSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds1

About (2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine

(2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine (PubChem CID 101274474) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine.

Molecular Properties

Compound Name(2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine
PubChem CID101274474
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/[C@@H]1CCC[C@@H](C)N1
InChIInChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9-/m1/s1
InChIKeyCXQRNYIKPJXYLU-ZZDZINKYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine?
The IUPAC name of (2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine (CID 101274474) is (2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine.
What is the SMILES notation for (2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine?
The canonical SMILES for (2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine is C/C=C/[C@@H]1CCC[C@@H](C)N1.
What is the InChIKey of (2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine?
The InChIKey is CXQRNYIKPJXYLU-ZZDZINKYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+/t8-,9-/m1/s1.
What are the key properties of (2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine?
(2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine is sourced from PubChem (CID 101274474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).