1-(3-fluoropropyl)piperidine-4-carbothioamide

C9H17FN2S — CID 81105602

IUPAC1-(3-fluoropropyl)piperidine-4-carbothioamide
SMILESNC(=S)C1CCN(CCCF)CC1
InChIInChI=1S/C9H17FN2S/c10-4-1-5-12-6-2-8(3-7-12)9(11)13/h8H,1-7H2,(H2,11,13)
InChIKeyFJWOQDYKWNVNOL-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.34
Rot. Bonds4

About 1-(3-fluoropropyl)piperidine-4-carbothioamide

1-(3-fluoropropyl)piperidine-4-carbothioamide (PubChem CID 81105602) has the molecular formula C9H17FN2S and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(3-fluoropropyl)piperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(3-fluoropropyl)piperidine-4-carbothioamide
PubChem CID81105602
Molecular FormulaC9H17FN2S
Molecular Weight204.31 g/mol
Exact Mass204.11
IUPAC Name1-(3-fluoropropyl)piperidine-4-carbothioamide
SMILESNC(=S)C1CCN(CCCF)CC1
InChIInChI=1S/C9H17FN2S/c10-4-1-5-12-6-2-8(3-7-12)9(11)13/h8H,1-7H2,(H2,11,13)
InChIKeyFJWOQDYKWNVNOL-UHFFFAOYSA-N
XLogP1.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-Fluoroethyl)piperidin-4-yl]methanamine
CID 23391790
2-[1-(2-Fluoroethyl)piperidin-4-yl]ethanamine
CID 80694900
1-Fluoropiperidine-4-carbothioamide
CID 145687216
1-(2,2-Difluoroethyl)piperidine-4-carbothioamide
CID 64425710
1-(2,2,2-Trifluoroethyl)piperidine-4-carbothioamide
CID 64426681
1-(2,2,2-Trifluoroethyl)piperidine-3-carbothioamide
CID 64441831
1-(2,2-Difluoroethyl)piperidine-3-carbothioamide
CID 64442666
1-(3,3,3-Trifluoropropyl)piperidine-3-carbothioamide
CID 64555233
1-(3,3,3-Trifluoropropyl)piperidine-4-carbothioamide
CID 64555234
2-Methyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanethioamide
CID 65536238
3-[4-(Trifluoromethyl)piperidin-1-yl]butanethioamide
CID 65536240
2-[4-(Trifluoromethyl)piperidin-1-yl]ethanethioamide
CID 65536434

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)piperidine-4-carbothioamide?
The IUPAC name of 1-(3-fluoropropyl)piperidine-4-carbothioamide (CID 81105602) is 1-(3-fluoropropyl)piperidine-4-carbothioamide.
What is the SMILES notation for 1-(3-fluoropropyl)piperidine-4-carbothioamide?
The canonical SMILES for 1-(3-fluoropropyl)piperidine-4-carbothioamide is NC(=S)C1CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)piperidine-4-carbothioamide?
The InChIKey is FJWOQDYKWNVNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2S/c10-4-1-5-12-6-2-8(3-7-12)9(11)13/h8H,1-7H2,(H2,11,13).
What are the key properties of 1-(3-fluoropropyl)piperidine-4-carbothioamide?
1-(3-fluoropropyl)piperidine-4-carbothioamide has a molecular weight of 204.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)piperidine-4-carbothioamide is sourced from PubChem (CID 81105602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).