(2S)-2-[(E)-but-2-enyl]piperidine

C9H17N — CID 102286170

IUPAC(2S)-2-[(E)-but-2-enyl]piperidine
SMILESC/C=C/C[C@@H]1CCCCN1
InChIInChI=1S/C9H17N/c1-2-3-6-9-7-4-5-8-10-9/h2-3,9-10H,4-8H2,1H3/b3-2+/t9-/m1/s1
InChIKeyPAGQZNVNMGLKAX-GKQMSVHHSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds2

About (2S)-2-[(E)-but-2-enyl]piperidine

(2S)-2-[(E)-but-2-enyl]piperidine (PubChem CID 102286170) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2S)-2-[(E)-but-2-enyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(E)-but-2-enyl]piperidine
PubChem CID102286170
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2S)-2-[(E)-but-2-enyl]piperidine
SMILESC/C=C/C[C@@H]1CCCCN1
InChIInChI=1S/C9H17N/c1-2-3-6-9-7-4-5-8-10-9/h2-3,9-10H,4-8H2,1H3/b3-2+/t9-/m1/s1
InChIKeyPAGQZNVNMGLKAX-GKQMSVHHSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

2-[(E)-but-2-enyl]piperidine
CID 10261169
(E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine
CID 106632187
ethyl (E)-4-piperidin-2-ylbut-2-enoate
CID 12070400
2-ethylpiperidine;hydrobromide
CID 131717239
2-prop-2-enyl(213C)azolidine
CID 173137372
(Z)-4-pyrrolidin-2-ylbut-2-enoic acid
CID 117266194
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
CID 176937281
CID 176937281
azane;2-propylpiperidine
CID 156844924
tert-butyl formate;2-piperidin-2-ylacetaldehyde
CID 174623729
(2S)-2-[(E)-3-(benzenesulfonyl)prop-2-enyl]piperidine
CID 71714470

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E)-but-2-enyl]piperidine?
The IUPAC name of (2S)-2-[(E)-but-2-enyl]piperidine (CID 102286170) is (2S)-2-[(E)-but-2-enyl]piperidine.
What is the SMILES notation for (2S)-2-[(E)-but-2-enyl]piperidine?
The canonical SMILES for (2S)-2-[(E)-but-2-enyl]piperidine is C/C=C/C[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-[(E)-but-2-enyl]piperidine?
The InChIKey is PAGQZNVNMGLKAX-GKQMSVHHSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-6-9-7-4-5-8-10-9/h2-3,9-10H,4-8H2,1H3/b3-2+/t9-/m1/s1.
What are the key properties of (2S)-2-[(E)-but-2-enyl]piperidine?
(2S)-2-[(E)-but-2-enyl]piperidine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-but-2-enyl]piperidine is sourced from PubChem (CID 102286170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).