N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine

C17H33FN4O2S — CID 156650287

IUPACN-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine
SMILESCS(=O)(=O)C1CCC(C2CNCC(NCC3CCC(F)CN3)N2)CC1
InChIInChI=1S/C17H33FN4O2S/c1-25(23,24)15-6-2-12(3-7-15)16-10-19-11-17(22-16)21-9-14-5-4-13(18)8-20-14/h12-17,19-22H,2-11H2,1H3
InChIKeyAEGJUYIVNGPFJN-UHFFFAOYSA-N
MW376.54 g/mol
LogP0.16
Rot. Bonds5

About N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine

N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine (PubChem CID 156650287) has the molecular formula C17H33FN4O2S and a molecular weight of 376.54 g/mol. Its IUPAC name is N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine.

Molecular Properties

Compound NameN-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine
PubChem CID156650287
Molecular FormulaC17H33FN4O2S
Molecular Weight376.54 g/mol
Exact Mass376.23
IUPAC NameN-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine
SMILESCS(=O)(=O)C1CCC(C2CNCC(NCC3CCC(F)CN3)N2)CC1
InChIInChI=1S/C17H33FN4O2S/c1-25(23,24)15-6-2-12(3-7-15)16-10-19-11-17(22-16)21-9-14-5-4-13(18)8-20-14/h12-17,19-22H,2-11H2,1H3
InChIKeyAEGJUYIVNGPFJN-UHFFFAOYSA-N
XLogP0.16
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methylpyrazolidin-3-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine
CID 156650298
2-(2-methylpropoxy)-6-(4-methylsulfonylcyclohexyl)piperazine
CID 156650313
5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(1,2-thiazolidin-5-ylmethyl)piperazin-2-amine
CID 156650524
N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine
CID 166020159
2-(4-methylsulfonylcyclohexyl)-6-[(5-methylthiolan-2-yl)methoxy]piperazine
CID 166020009
2-[6-(4-methylsulfonylcyclohexyl)piperazin-2-yl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 166020088
N-cyclohexyl-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine
CID 166020005
5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine
CID 156650236
6-(4-methylsulfonylcyclohexyl)-5-propan-2-yloxy-N-(thiolan-2-ylmethyl)piperazin-2-amine
CID 166020077
(5-fluoropiperidin-2-yl)methanol
CID 84648183
6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine
CID 156650484
(2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide
CID 130608654

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine?
The IUPAC name of N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine (CID 156650287) is N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine.
What is the SMILES notation for N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine?
The canonical SMILES for N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine is CS(=O)(=O)C1CCC(C2CNCC(NCC3CCC(F)CN3)N2)CC1.
What is the InChIKey of N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine?
The InChIKey is AEGJUYIVNGPFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN4O2S/c1-25(23,24)15-6-2-12(3-7-15)16-10-19-11-17(22-16)21-9-14-5-4-13(18)8-20-14/h12-17,19-22H,2-11H2,1H3.
What are the key properties of N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine?
N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine has a molecular weight of 376.54 g/mol, XLogP of 0.16, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoropiperidin-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperazin-2-amine is sourced from PubChem (CID 156650287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).