1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine

C20H24N2O — CID 131891384

IUPAC1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(Cc2cccc3c2oc2ccccc23)C1
InChIInChI=1S/C20H24N2O/c1-21-12-15-6-5-11-22(13-15)14-16-7-4-9-18-17-8-2-3-10-19(17)23-20(16)18/h2-4,7-10,15,21H,5-6,11-14H2,1H3
InChIKeyDVJOEFDIMSHAII-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.02
Rot. Bonds4

About 1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine

1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine (PubChem CID 131891384) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
PubChem CID131891384
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(Cc2cccc3c2oc2ccccc23)C1
InChIInChI=1S/C20H24N2O/c1-21-12-15-6-5-11-22(13-15)14-16-7-4-9-18-17-8-2-3-10-19(17)23-20(16)18/h2-4,7-10,15,21H,5-6,11-14H2,1H3
InChIKeyDVJOEFDIMSHAII-UHFFFAOYSA-N
XLogP4.02
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465497
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61203945
2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 77097205
3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62894272
1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62433787
[(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 15504357
2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30675012
1-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 113499435
1-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61205338
11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754580
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 65479043

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine (CID 131891384) is 1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(Cc2cccc3c2oc2ccccc23)C1.
What is the InChIKey of 1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine?
The InChIKey is DVJOEFDIMSHAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-21-12-15-6-5-11-22(13-15)14-16-7-4-9-18-17-8-2-3-10-19(17)23-20(16)18/h2-4,7-10,15,21H,5-6,11-14H2,1H3.
What are the key properties of 1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine?
1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine has a molecular weight of 308.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 131891384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).