1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride

C11H23Cl2FN2S — CID 126845803

IUPAC1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CC2(F)CCSCC2)CC1
InChIInChI=1S/C11H21FN2S.2ClH/c12-11(3-7-15-8-4-11)9-14-5-1-10(13)2-6-14;;/h10H,1-9,13H2;2*1H
InChIKeyURLLRUDQKQMMNS-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.49
Rot. Bonds2

About 1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride

1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride (PubChem CID 126845803) has the molecular formula C11H23Cl2FN2S and a molecular weight of 305.29 g/mol. Its IUPAC name is 1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride
PubChem CID126845803
Molecular FormulaC11H23Cl2FN2S
Molecular Weight305.29 g/mol
Exact Mass304.09
IUPAC Name1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CC2(F)CCSCC2)CC1
InChIInChI=1S/C11H21FN2S.2ClH/c12-11(3-7-15-8-4-11)9-14-5-1-10(13)2-6-14;;/h10H,1-9,13H2;2*1H
InChIKeyURLLRUDQKQMMNS-UHFFFAOYSA-N
XLogP2.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine
CID 126845804
1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 176561897
1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine
CID 130905098
1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine;dihydrochloride
CID 126845092
1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride
CID 86637499
1-[(1-fluorocyclopropyl)methyl]-4-methylazepane
CID 130667715
1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-ol
CID 156720343
1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]piperidin-4-amine
CID 126845093
1-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
CID 103815407
1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine
CID 130727528
[3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine
CID 115030969
1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]piperidin-4-amine
CID 107456029

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride (CID 126845803) is 1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride is Cl.Cl.NC1CCN(CC2(F)CCSCC2)CC1.
What is the InChIKey of 1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride?
The InChIKey is URLLRUDQKQMMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2S.2ClH/c12-11(3-7-15-8-4-11)9-14-5-1-10(13)2-6-14;;/h10H,1-9,13H2;2*1H.
What are the key properties of 1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride?
1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride has a molecular weight of 305.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 126845803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).