[4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine

C12H23FN2S — CID 115055623

IUPAC[4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine
SMILESNCC1(CF)CCN(C2CCSCC2)CC1
InChIInChI=1S/C12H23FN2S/c13-9-12(10-14)3-5-15(6-4-12)11-1-7-16-8-2-11/h11H,1-10,14H2
InChIKeyVPDYDGPDAIFMHJ-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.89
Rot. Bonds3

About [4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine

[4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine (PubChem CID 115055623) has the molecular formula C12H23FN2S and a molecular weight of 246.39 g/mol. Its IUPAC name is [4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine
PubChem CID115055623
Molecular FormulaC12H23FN2S
Molecular Weight246.39 g/mol
Exact Mass246.16
IUPAC Name[4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine
SMILESNCC1(CF)CCN(C2CCSCC2)CC1
InChIInChI=1S/C12H23FN2S/c13-9-12(10-14)3-5-15(6-4-12)11-1-7-16-8-2-11/h11H,1-10,14H2
InChIKeyVPDYDGPDAIFMHJ-UHFFFAOYSA-N
XLogP1.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-Fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine
CID 115039144
4-(Fluoromethyl)-1-(thian-4-yl)piperidin-4-amine
CID 115039145
[4-Fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine
CID 115039146
4-(Difluoromethyl)-1-(thian-4-yl)piperidin-4-amine
CID 115046721
[4-(Difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine
CID 115049258
[1-(1,1-Dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-yl]methanamine
CID 115051332
N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115719866
1-[(4-Fluorothian-4-yl)methyl]piperidin-4-amine
CID 126845804
N-[4-(aminomethyl)thian-4-yl]-N,1-dimethylpiperidin-3-amine
CID 55084373
[3-(4-Ethyl-4-methylpiperidin-1-yl)thian-3-yl]methanamine
CID 55164675
[3-(4,4-Diethylpiperidin-1-yl)thian-3-yl]methanamine
CID 55165072
[1-(Thian-4-yl)piperidin-4-yl]methanamine
CID 61785928

Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine (CID 115055623) is [4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine is NCC1(CF)CCN(C2CCSCC2)CC1.
What is the InChIKey of [4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine?
The InChIKey is VPDYDGPDAIFMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2S/c13-9-12(10-14)3-5-15(6-4-12)11-1-7-16-8-2-11/h11H,1-10,14H2.
What are the key properties of [4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine?
[4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine has a molecular weight of 246.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 115055623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).