(3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine

C14H24F2N2 — CID 122545828

IUPAC(3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine
SMILESC=C(CCN1CCC[C@@H](C)C1)N1CCC(F)(F)C1
InChIInChI=1S/C14H24F2N2/c1-12-4-3-7-17(10-12)8-5-13(2)18-9-6-14(15,16)11-18/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyPCVLLTSARRCQIF-GFCCVEGCSA-N
MW258.36 g/mol
LogP2.96
Rot. Bonds4

About (3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine

(3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine (PubChem CID 122545828) has the molecular formula C14H24F2N2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine
PubChem CID122545828
Molecular FormulaC14H24F2N2
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine
SMILESC=C(CCN1CCC[C@@H](C)C1)N1CCC(F)(F)C1
InChIInChI=1S/C14H24F2N2/c1-12-4-3-7-17(10-12)8-5-13(2)18-9-6-14(15,16)11-18/h12H,2-11H2,1H3/t12-/m1/s1
InChIKeyPCVLLTSARRCQIF-GFCCVEGCSA-N
XLogP2.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine (CID 122545828) is (3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine is C=C(CCN1CCC[C@@H](C)C1)N1CCC(F)(F)C1.
What is the InChIKey of (3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine?
The InChIKey is PCVLLTSARRCQIF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24F2N2/c1-12-4-3-7-17(10-12)8-5-13(2)18-9-6-14(15,16)11-18/h12H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine?
(3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine has a molecular weight of 258.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(3,3-difluoropyrrolidin-1-yl)but-3-enyl]-3-methylpiperidine is sourced from PubChem (CID 122545828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).