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

C12H22FN — CID 178101244

IUPAC(3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine
SMILESCC(C)C[C@@]1(C)C/C(=C/F)CN(C)C1
InChIInChI=1S/C12H22FN/c1-10(2)5-12(3)6-11(7-13)8-14(4)9-12/h7,10H,5-6,8-9H2,1-4H3/b11-7-/t12-/m0/s1
InChIKeyNSORDXDRLNCZEM-RDQDRAATSA-N
MW199.31 g/mol
LogP3.23
Rot. Bonds2

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

(3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine (PubChem CID 178101244) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is (3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name(3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine
PubChem CID178101244
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name(3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine
SMILESCC(C)C[C@@]1(C)C/C(=C/F)CN(C)C1
InChIInChI=1S/C12H22FN/c1-10(2)5-12(3)6-11(7-13)8-14(4)9-12/h7,10H,5-6,8-9H2,1-4H3/b11-7-/t12-/m0/s1
InChIKeyNSORDXDRLNCZEM-RDQDRAATSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 89140664
4-(5-Fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine
CID 134365582
(3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine
CID 143775541
10,10-Difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane
CID 154670349
1-(2-Ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine
CID 156518936
2,2-Difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane
CID 163675783
(4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine
CID 166970164
3-Fluoro-1-methyl-4-prop-1-en-2-ylpiperidine
CID 169633224
5-Ethyl-2,2-difluoro-4-prop-1-en-2-yl-5-azaspiro[2.5]octane
CID 169977756
(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine
CID 176568518
6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane
CID 176954866
4-(1,1-Difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 177031700

Frequently Asked Questions

What is the IUPAC name of (3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine?
The IUPAC name of (3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine (CID 178101244) is (3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine.
What is the SMILES notation for (3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine?
The canonical SMILES for (3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine is CC(C)C[C@@]1(C)C/C(=C/F)CN(C)C1.
What is the InChIKey of (3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine?
The InChIKey is NSORDXDRLNCZEM-RDQDRAATSA-N. The full InChI is InChI=1S/C12H22FN/c1-10(2)5-12(3)6-11(7-13)8-14(4)9-12/h7,10H,5-6,8-9H2,1-4H3/b11-7-/t12-/m0/s1.
What are the key properties of (3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine?
(3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine has a molecular weight of 199.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5Z)-5-(fluoromethylidene)-1,3-dimethyl-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 178101244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).