N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine

C18H24N2O — CID 103776102

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine
SMILESCc1ccc(C(C)NC2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C18H24N2O/c1-14-8-9-18(21-14)15(2)19-16-10-12-20(13-11-16)17-6-4-3-5-7-17/h3-9,15-16,19H,10-13H2,1-2H3
InChIKeyHRJRZSSUWFAZPD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.91
Rot. Bonds4

About N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine

N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine (PubChem CID 103776102) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine
PubChem CID103776102
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine
SMILESCc1ccc(C(C)NC2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C18H24N2O/c1-14-8-9-18(21-14)15(2)19-16-10-12-20(13-11-16)17-6-4-3-5-7-17/h3-9,15-16,19H,10-13H2,1-2H3
InChIKeyHRJRZSSUWFAZPD-UHFFFAOYSA-N
XLogP3.91
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(furan-2-yl)methyl]aniline
CID 57541
N-(2-(furan-2-yl)-2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)pivalamide
CID 16194902
2-[4-(2-furoyl)piperazino]-N-phenyl-propionamide
CID 16327673
1-(2-Ethoxyphenyl)-4-(2-furylmethyl)piperazine
CID 591367
N-[1-(furan-2-yl)-3-methylbut-3-en-1-yl]-4-methoxyaniline
CID 2772051
5-methyl-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 17524613
1-[[5-[[Butyl(ethyl)amino]methyl]furan-2-yl]methyl]-3-(4-fluorophenyl)urea
CID 3530643
N'-(4-ethoxyphenyl)-N-[1-(2-furyl)ethyl]-N-(2-methoxyethyl)thiourea
CID 3681418
1-Cyclohexyl-1-[1-(furan-2-yl)ethyl]-3-phenylurea
CID 4064420
N-[(5-{[butyl(ethyl)amino]methyl}-2-furyl)methyl]-N'-(3-fluorophenyl)thiourea
CID 4571043
1-[2-(Furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 4876683
N~2~-[1-Methyl-2-oxo-2-(4-phenylpiperazino)ethyl]-2-furamide
CID 6473394

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine (CID 103776102) is N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine is Cc1ccc(C(C)NC2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine?
The InChIKey is HRJRZSSUWFAZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-8-9-18(21-14)15(2)19-16-10-12-20(13-11-16)17-6-4-3-5-7-17/h3-9,15-16,19H,10-13H2,1-2H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine?
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine has a molecular weight of 284.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine is sourced from PubChem (CID 103776102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).