[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

C19H24N2O2 — CID 23587301

IUPAC[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c(C)o1
InChIInChI=1S/C19H24N2O2/c1-13-10-18(14(2)23-13)19(22)21-8-6-16(7-9-21)17-5-3-4-15(11-17)12-20/h3-5,10-11,16H,6-9,12,20H2,1-2H3
InChIKeyPBUCBLDVMFXVFG-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.37
Rot. Bonds3

About [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 23587301) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID23587301
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c(C)o1
InChIInChI=1S/C19H24N2O2/c1-13-10-18(14(2)23-13)19(22)21-8-6-16(7-9-21)17-5-3-4-15(11-17)12-20/h3-5,10-11,16H,6-9,12,20H2,1-2H3
InChIKeyPBUCBLDVMFXVFG-UHFFFAOYSA-N
XLogP3.37
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 23587319
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 23587338
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 70947721
(2-amino-3,5-dichlorophenyl)-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]methanone
CID 23587256
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone
CID 90213723
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-methylphenyl)ethynyl]furan-2-yl]methanone
CID 57398684
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone
CID 90213570

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 23587301) is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c(C)o1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is PBUCBLDVMFXVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-10-18(14(2)23-13)19(22)21-8-6-16(7-9-21)17-5-3-4-15(11-17)12-20/h3-5,10-11,16H,6-9,12,20H2,1-2H3.
What are the key properties of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 312.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 23587301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).