1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine

C11H19F2N — CID 169182355

IUPAC1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine
SMILESC=C(C(F)F)N1CCC(C(C)C)CC1
InChIInChI=1S/C11H19F2N/c1-8(2)10-4-6-14(7-5-10)9(3)11(12)13/h8,10-11H,3-7H2,1-2H3
InChIKeyMQNYJEYLSAHPKR-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.13
Rot. Bonds3

About 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine

1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine (PubChem CID 169182355) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine
PubChem CID169182355
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine
SMILESC=C(C(F)F)N1CCC(C(C)C)CC1
InChIInChI=1S/C11H19F2N/c1-8(2)10-4-6-14(7-5-10)9(3)11(12)13/h8,10-11H,3-7H2,1-2H3
InChIKeyMQNYJEYLSAHPKR-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-But-2-en-2-yl-4-(trifluoromethyl)piperidine
CID 68186471
1-(3,3-Difluoroprop-1-en-2-yl)-3-ethyl-4-propan-2-ylpyrrolidine
CID 117878252
4-Fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 122578819
4-Propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine
CID 122630884
4-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
CID 126663367
1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine
CID 130418370
1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-(trifluoromethyl)piperidine
CID 130418372
4-(Difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine
CID 145027172
ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
CID 145366202
(2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
CID 146361011
1-Ethenyl-2,2-difluoro-4-propan-2-ylpiperidine
CID 155036947
2,2-Difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 155037099

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine (CID 169182355) is 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine is C=C(C(F)F)N1CCC(C(C)C)CC1.
What is the InChIKey of 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine?
The InChIKey is MQNYJEYLSAHPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8(2)10-4-6-14(7-5-10)9(3)11(12)13/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine?
1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine has a molecular weight of 203.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 169182355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).