(3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine

C11H21NO — CID 86320862

IUPAC(3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine
SMILESC=C(C)COCC[C@@H]1CCCNC1
InChIInChI=1S/C11H21NO/c1-10(2)9-13-7-5-11-4-3-6-12-8-11/h11-12H,1,3-9H2,2H3/t11-/m0/s1
InChIKeyRYCPTEVALJIOFT-NSHDSACASA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About (3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine

(3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine (PubChem CID 86320862) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine
PubChem CID86320862
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine
SMILESC=C(C)COCC[C@@H]1CCCNC1
InChIInChI=1S/C11H21NO/c1-10(2)9-13-7-5-11-4-3-6-12-8-11/h11-12H,1,3-9H2,2H3/t11-/m0/s1
InChIKeyRYCPTEVALJIOFT-NSHDSACASA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-chloroprop-2-enoxy)ethyl]piperidine
CID 62356668
N-[2-(2-methylprop-2-enoxy)ethyl]-3-piperidin-3-ylpropanamide
CID 114467819
4-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 56829997
2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
3-[2-(methoxymethoxy)ethyl]piperidine
CID 106938134
3-[2-(cyclobutylmethoxy)ethyl]piperidine
CID 56830620
3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
CID 56830022
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
3-[2-(2-butoxyethoxy)ethyl]piperidine
CID 62357528
3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid
CID 106939866

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine?
The IUPAC name of (3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine (CID 86320862) is (3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine.
What is the SMILES notation for (3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine?
The canonical SMILES for (3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine is C=C(C)COCC[C@@H]1CCCNC1.
What is the InChIKey of (3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine?
The InChIKey is RYCPTEVALJIOFT-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)9-13-7-5-11-4-3-6-12-8-11/h11-12H,1,3-9H2,2H3/t11-/m0/s1.
What are the key properties of (3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine?
(3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine is sourced from PubChem (CID 86320862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).