N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine

C20H28F2N2O3 — CID 146087537

IUPACN-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine
SMILESFC(F)Oc1cc2c(cc1CNC1CCC(N3CCCCC3)CC1)OCO2
InChIInChI=1S/C20H28F2N2O3/c21-20(22)27-17-11-19-18(25-13-26-19)10-14(17)12-23-15-4-6-16(7-5-15)24-8-2-1-3-9-24/h10-11,15-16,20,23H,1-9,12-13H2
InChIKeyBHTUUFVHLYBNFD-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.90
Rot. Bonds6

About N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine

N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine (PubChem CID 146087537) has the molecular formula C20H28F2N2O3 and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine
PubChem CID146087537
Molecular FormulaC20H28F2N2O3
Molecular Weight382.45 g/mol
Exact Mass382.21
IUPAC NameN-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine
SMILESFC(F)Oc1cc2c(cc1CNC1CCC(N3CCCCC3)CC1)OCO2
InChIInChI=1S/C20H28F2N2O3/c21-20(22)27-17-11-19-18(25-13-26-19)10-14(17)12-23-15-4-6-16(7-5-15)24-8-2-1-3-9-24/h10-11,15-16,20,23H,1-9,12-13H2
InChIKeyBHTUUFVHLYBNFD-UHFFFAOYSA-N
XLogP3.90
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine with MolForge

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Related Compounds

3-[[6-[(cyclopropylamino)methyl]-1,3-benzodioxol-5-yl]oxy]propane-1,2-diol
CID 82850374
1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43234150
4-[(6-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509635
1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-3-spiro[2.5]octan-2-ylurea
CID 166195967
4-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509745
N-[(6-pent-3-ynoxy-1,3-benzodioxol-5-yl)methyl]cyclopropanamine
CID 104804790
N-[[6-(2-methylidenebutoxy)-1,3-benzodioxol-5-yl]methyl]cyclopropanamine
CID 66047329
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-methylpiperidin-4-amine
CID 43223597
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-1H-benzimidazol-2-amine
CID 133410891
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-methylpyridin-4-amine
CID 133493347
4-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509911
3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol
CID 75408371

Frequently Asked Questions

What is the IUPAC name of N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine?
The IUPAC name of N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine (CID 146087537) is N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine.
What is the SMILES notation for N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine?
The canonical SMILES for N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine is FC(F)Oc1cc2c(cc1CNC1CCC(N3CCCCC3)CC1)OCO2.
What is the InChIKey of N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine?
The InChIKey is BHTUUFVHLYBNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O3/c21-20(22)27-17-11-19-18(25-13-26-19)10-14(17)12-23-15-4-6-16(7-5-15)24-8-2-1-3-9-24/h10-11,15-16,20,23H,1-9,12-13H2.
What are the key properties of N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine?
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine has a molecular weight of 382.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-4-piperidin-1-ylcyclohexan-1-amine is sourced from PubChem (CID 146087537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).