4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine

C10H18FNO — CID 127009376

IUPAC4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine
SMILESC=C(COC)C1(F)CCNCC1C
InChIInChI=1S/C10H18FNO/c1-8-6-12-5-4-10(8,11)9(2)7-13-3/h8,12H,2,4-7H2,1,3H3
InChIKeyPSXBVFGFPAIWQO-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.53
Rot. Bonds3

About 4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine

4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine (PubChem CID 127009376) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine.

Molecular Properties

Compound Name4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine
PubChem CID127009376
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine
SMILESC=C(COC)C1(F)CCNCC1C
InChIInChI=1S/C10H18FNO/c1-8-6-12-5-4-10(8,11)9(2)7-13-3/h8,12H,2,4-7H2,1,3H3
InChIKeyPSXBVFGFPAIWQO-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-3-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine
CID 131124037
3-Fluoro-3-(3-methoxyprop-1-en-2-yl)piperidine
CID 131140580
4-Fluoro-4-(3-methoxyprop-1-en-2-yl)-2-methylpiperidine
CID 164646062
Ethane;4-(2-ethoxyprop-2-enyl)-3-methylpiperidine
CID 145013241
(3R)-3-(2-methylprop-2-enoxymethyl)piperidine
CID 26190613
(3S)-3-(2-methylprop-2-enoxymethyl)piperidine
CID 26190616
2-Methyl-2-propenyl 3-piperidinylmethyl ether
CID 45075310
4-{2-[(2-Methyl-2-propenyl)oxy]ethyl}piperidine hydrochloride
CID 56829996
4-[2-(2-Methylprop-2-enoxy)ethyl]piperidine
CID 56829997
3-(2-Methylidenebutoxymethyl)piperidine
CID 66045264
4-(2-Ethoxyprop-2-enyl)-3-methylpiperidine
CID 145013242

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine?
The IUPAC name of 4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine (CID 127009376) is 4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine.
What is the SMILES notation for 4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine?
The canonical SMILES for 4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine is C=C(COC)C1(F)CCNCC1C.
What is the InChIKey of 4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine?
The InChIKey is PSXBVFGFPAIWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8-6-12-5-4-10(8,11)9(2)7-13-3/h8,12H,2,4-7H2,1,3H3.
What are the key properties of 4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine?
4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine has a molecular weight of 187.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(3-methoxyprop-1-en-2-yl)-3-methylpiperidine is sourced from PubChem (CID 127009376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).