1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine

C14H25N3O — CID 63233414

IUPAC1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCN1CCC(CN(C)C(CN)c2ccco2)CC1
InChIInChI=1S/C14H25N3O/c1-16-7-5-12(6-8-16)11-17(2)13(10-15)14-4-3-9-18-14/h3-4,9,12-13H,5-8,10-11,15H2,1-2H3
InChIKeyWJWHKGJXAWYDDP-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.55
Rot. Bonds5

About 1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine

1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine (PubChem CID 63233414) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
PubChem CID63233414
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCN1CCC(CN(C)C(CN)c2ccco2)CC1
InChIInChI=1S/C14H25N3O/c1-16-7-5-12(6-8-16)11-17(2)13(10-15)14-4-3-9-18-14/h3-4,9,12-13H,5-8,10-11,15H2,1-2H3
InChIKeyWJWHKGJXAWYDDP-UHFFFAOYSA-N
XLogP1.55
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N,N-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 62655967
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine
CID 63233410
1-(2,5-difluorophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63232937
(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81403301
1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610896
1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63275539
1-(furan-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43211734
4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol
CID 114948505
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63275722
4-[2-(furan-2-yl)ethyl]-1-methylpiperidine
CID 23800356
1-cyclopentyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63233100
1-(4-bromo-3-fluorophenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 81437678

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine (CID 63233414) is 1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine is CN1CCC(CN(C)C(CN)c2ccco2)CC1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is WJWHKGJXAWYDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16-7-5-12(6-8-16)11-17(2)13(10-15)14-4-3-9-18-14/h3-4,9,12-13H,5-8,10-11,15H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 251.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63233414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).