(3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine

C12H21F2N — CID 178101598

IUPAC(3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine
SMILESCC(C)C[C@@]1(C)CC(=C(F)F)CN(C)C1
InChIInChI=1S/C12H21F2N/c1-9(2)5-12(3)6-10(11(13)14)7-15(4)8-12/h9H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyFPKVQTCMIDEYTC-LBPRGKRZSA-N
MW217.30 g/mol
LogP3.52
Rot. Bonds2

About (3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine

(3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine (PubChem CID 178101598) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is (3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name(3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine
PubChem CID178101598
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name(3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine
SMILESCC(C)C[C@@]1(C)CC(=C(F)F)CN(C)C1
InChIInChI=1S/C12H21F2N/c1-9(2)5-12(3)6-10(11(13)14)7-15(4)8-12/h9H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyFPKVQTCMIDEYTC-LBPRGKRZSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine?
The IUPAC name of (3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine (CID 178101598) is (3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine.
What is the SMILES notation for (3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine?
The canonical SMILES for (3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine is CC(C)C[C@@]1(C)CC(=C(F)F)CN(C)C1.
What is the InChIKey of (3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine?
The InChIKey is FPKVQTCMIDEYTC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21F2N/c1-9(2)5-12(3)6-10(11(13)14)7-15(4)8-12/h9H,5-8H2,1-4H3/t12-/m0/s1.
What are the key properties of (3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine?
(3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine has a molecular weight of 217.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(difluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 178101598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).