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

C15H26N2O — CID 43182952

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCc1ccc(C(C)NC2CCN(C(C)C)CC2)o1
InChIInChI=1S/C15H26N2O/c1-11(2)17-9-7-14(8-10-17)16-13(4)15-6-5-12(3)18-15/h5-6,11,13-14,16H,7-10H2,1-4H3
InChIKeyWCZULBWSPYKCCA-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.11
Rot. Bonds4

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

N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 43182952) 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-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID43182952
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCc1ccc(C(C)NC2CCN(C(C)C)CC2)o1
InChIInChI=1S/C15H26N2O/c1-11(2)17-9-7-14(8-10-17)16-13(4)15-6-5-12(3)18-15/h5-6,11,13-14,16H,7-10H2,1-4H3
InChIKeyWCZULBWSPYKCCA-UHFFFAOYSA-N
XLogP3.11
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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
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-propylpiperidin-4-amine
CID 43182992
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine
CID 103776102
N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
CID 61016786
N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28652659
N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448054
1-propan-2-yl-N-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 43182945
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 54979176
1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine
CID 43098203

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine (CID 43182952) is N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine is Cc1ccc(C(C)NC2CCN(C(C)C)CC2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is WCZULBWSPYKCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)17-9-7-14(8-10-17)16-13(4)15-6-5-12(3)18-15/h5-6,11,13-14,16H,7-10H2,1-4H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine?
N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 3.11, 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-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 43182952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).