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

C15H26N2O — CID 43182992

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC(C)c2ccc(C)o2)CC1
InChIInChI=1S/C15H26N2O/c1-4-9-17-10-7-14(8-11-17)16-13(3)15-6-5-12(2)18-15/h5-6,13-14,16H,4,7-11H2,1-3H3
InChIKeyDFYLKOQYYVHAGT-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.11
Rot. Bonds5

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

N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine (PubChem CID 43182992) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine
PubChem CID43182992
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC(C)c2ccc(C)o2)CC1
InChIInChI=1S/C15H26N2O/c1-4-9-17-10-7-14(8-11-17)16-13(3)15-6-5-12(2)18-15/h5-6,13-14,16H,4,7-11H2,1-3H3
InChIKeyDFYLKOQYYVHAGT-UHFFFAOYSA-N
XLogP3.11
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
CID 43224712
N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43182952
N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682
1-[4-[1-(5-methylfuran-2-yl)ethylamino]piperidin-1-yl]ethanone
CID 43224710
N-[1-(5-methylfuran-2-yl)ethyl]cyclopentanamine
CID 43177408
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine
CID 103776102
N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206708
N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
CID 28717671
N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
CID 61016786
N-(1-phenylethyl)-1-propylazepan-4-amine
CID 65072569
N-[1-(5-methylfuran-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43205640
1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 43748363

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine (CID 43182992) is N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine is CCCN1CCC(NC(C)c2ccc(C)o2)CC1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine?
The InChIKey is DFYLKOQYYVHAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-9-17-10-7-14(8-11-17)16-13(3)15-6-5-12(2)18-15/h5-6,13-14,16H,4,7-11H2,1-3H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine?
N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 3.11, 5 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-propylpiperidin-4-amine is sourced from PubChem (CID 43182992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).