(2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine

C10H19N — CID 58034803

IUPAC(2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine
SMILESC=CCN1C[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C10H19N/c1-4-7-11-8-9(2)5-6-10(11)3/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKeySFDQHVPQGSUAKZ-UWVGGRQHSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds2

About (2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine

(2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine (PubChem CID 58034803) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine
PubChem CID58034803
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine
SMILESC=CCN1C[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C10H19N/c1-4-7-11-8-9(2)5-6-10(11)3/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m0/s1
InChIKeySFDQHVPQGSUAKZ-UWVGGRQHSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.29
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

N-allyl-2-methylpiperidine
CID 13264660
(3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine
CID 137466784
3-Ethenyl-1-propan-2-ylpiperidine
CID 15365434
3-Methyl-1-prop-2-enylpiperidine
CID 11240525
2,6-Dimethyl-1-prop-2-enylpiperidine
CID 15260811
2,2,6,6-Tetramethyl-1-prop-2-enylpiperidine
CID 19606683
2-Ethenyl-5-ethyl-1-methylpiperidine
CID 20481888
5-Ethenyl-1,2-dimethylpiperidine
CID 20481889
4-Propan-2-yl-1-prop-2-enylpiperidine
CID 20811791
2,2,4,6,6-Pentamethyl-1-prop-2-enylpiperidine
CID 21292142
1-[(E)-but-2-enyl]-2,2,6,6-tetramethylpiperidine
CID 21517320
2,6-Diethyl-2,3,6-trimethyl-1-(prop-2-en-1-yl)piperidine
CID 22754588

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine?
The IUPAC name of (2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine (CID 58034803) is (2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine.
What is the SMILES notation for (2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine?
The canonical SMILES for (2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine is C=CCN1C[C@@H](C)CC[C@@H]1C.
What is the InChIKey of (2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine?
The InChIKey is SFDQHVPQGSUAKZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19N/c1-4-7-11-8-9(2)5-6-10(11)3/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m0/s1.
What are the key properties of (2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine?
(2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine has a molecular weight of 153.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dimethyl-1-prop-2-enylpiperidine is sourced from PubChem (CID 58034803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).