1-but-3-en-2-yl-4-(difluoromethyl)piperidine

C10H17F2N — CID 131131655

IUPAC1-but-3-en-2-yl-4-(difluoromethyl)piperidine
SMILESC=CC(C)N1CCC(C(F)F)CC1
InChIInChI=1S/C10H17F2N/c1-3-8(2)13-6-4-9(5-7-13)10(11)12/h3,8-10H,1,4-7H2,2H3
InChIKeyHIFUFUPSJLVUTR-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.54
Rot. Bonds3

About 1-but-3-en-2-yl-4-(difluoromethyl)piperidine

1-but-3-en-2-yl-4-(difluoromethyl)piperidine (PubChem CID 131131655) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-but-3-en-2-yl-4-(difluoromethyl)piperidine.

Molecular Properties

Compound Name1-but-3-en-2-yl-4-(difluoromethyl)piperidine
PubChem CID131131655
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-but-3-en-2-yl-4-(difluoromethyl)piperidine
SMILESC=CC(C)N1CCC(C(F)F)CC1
InChIInChI=1S/C10H17F2N/c1-3-8(2)13-6-4-9(5-7-13)10(11)12/h3,8-10H,1,4-7H2,2H3
InChIKeyHIFUFUPSJLVUTR-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.54
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

CID 17986135
CID 17986135
CID 58742139
CID 58742139
CID 72408212
CID 72408212
CID 129207499
CID 129207499
CID 129207966
CID 129207966
CID 129207967
CID 129207967
CID 129207969
CID 129207969
CID 130723823
CID 130723823
CID 131129043
CID 131129043
CID 134531061
CID 134531061
CID 134531078
CID 134531078
CID 144403393
CID 144403393

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-4-(difluoromethyl)piperidine?
The IUPAC name of 1-but-3-en-2-yl-4-(difluoromethyl)piperidine (CID 131131655) is 1-but-3-en-2-yl-4-(difluoromethyl)piperidine.
What is the SMILES notation for 1-but-3-en-2-yl-4-(difluoromethyl)piperidine?
The canonical SMILES for 1-but-3-en-2-yl-4-(difluoromethyl)piperidine is C=CC(C)N1CCC(C(F)F)CC1.
What is the InChIKey of 1-but-3-en-2-yl-4-(difluoromethyl)piperidine?
The InChIKey is HIFUFUPSJLVUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-3-8(2)13-6-4-9(5-7-13)10(11)12/h3,8-10H,1,4-7H2,2H3.
What are the key properties of 1-but-3-en-2-yl-4-(difluoromethyl)piperidine?
1-but-3-en-2-yl-4-(difluoromethyl)piperidine has a molecular weight of 189.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-4-(difluoromethyl)piperidine is sourced from PubChem (CID 131131655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).