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

C12H20N2O — CID 61016786

IUPACN-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
SMILESCc1ccc(C(C)NC2CCNCC2)o1
InChIInChI=1S/C12H20N2O/c1-9-3-4-12(15-9)10(2)14-11-5-7-13-8-6-11/h3-4,10-11,13-14H,5-8H2,1-2H3
InChIKeyAACZFYFYIMZLPN-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.99
Rot. Bonds3

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

N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine (PubChem CID 61016786) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
PubChem CID61016786
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
SMILESCc1ccc(C(C)NC2CCNCC2)o1
InChIInChI=1S/C12H20N2O/c1-9-3-4-12(15-9)10(2)14-11-5-7-13-8-6-11/h3-4,10-11,13-14H,5-8H2,1-2H3
InChIKeyAACZFYFYIMZLPN-UHFFFAOYSA-N
XLogP1.99
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]cyclopentanamine
CID 43177408
N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43182952
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]-3-propan-2-ylcyclohexan-1-amine
CID 107448054
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-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
N-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 54000637
N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 81347749
trans-(1S,2S)-2-[1-(5-methylfuran-2-yl)ethylamino]cyclopentan-1-ol
CID 102733183
2-[1-(5-methylfuran-2-yl)ethylamino]cyclohexan-1-ol
CID 61039875

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine (CID 61016786) is N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine is Cc1ccc(C(C)NC2CCNCC2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine?
The InChIKey is AACZFYFYIMZLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-3-4-12(15-9)10(2)14-11-5-7-13-8-6-11/h3-4,10-11,13-14H,5-8H2,1-2H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine?
N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine has a molecular weight of 208.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 61016786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).