1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine

C14H24N2O — CID 115707104

IUPAC1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
SMILESCc1ccc(C(C)NC2CCN(C)CC2C)o1
InChIInChI=1S/C14H24N2O/c1-10-9-16(4)8-7-13(10)15-12(3)14-6-5-11(2)17-14/h5-6,10,12-13,15H,7-9H2,1-4H3
InChIKeyOVOYMPNMHANOOS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.58
Rot. Bonds3

About 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine

1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine (PubChem CID 115707104) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
PubChem CID115707104
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
SMILESCc1ccc(C(C)NC2CCN(C)CC2C)o1
InChIInChI=1S/C14H24N2O/c1-10-9-16(4)8-7-13(10)15-12(3)14-6-5-11(2)17-14/h5-6,10,12-13,15H,7-9H2,1-4H3
InChIKeyOVOYMPNMHANOOS-UHFFFAOYSA-N
XLogP2.58
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 115710203
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 115706103
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107711309
2,4,4-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]cyclohexan-1-amine
CID 81321021
5-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707305
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115716888
1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717489
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-4-methoxyphenol
CID 104582309
N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115714676
N-[1-(2,4-dibromophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115717601

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine (CID 115707104) is 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine is Cc1ccc(C(C)NC2CCN(C)CC2C)o1.
What is the InChIKey of 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine?
The InChIKey is OVOYMPNMHANOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-9-16(4)8-7-13(10)15-12(3)14-6-5-11(2)17-14/h5-6,10,12-13,15H,7-9H2,1-4H3.
What are the key properties of 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine?
1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 115707104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).