N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine

C13H22N2O — CID 43665299

IUPACN-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCc1ccco1
InChIInChI=1S/C13H22N2O/c1-10-9-15(3)11(2)7-13(10)14-8-12-5-4-6-16-12/h4-6,10-11,13-14H,7-9H2,1-3H3
InChIKeyGWPFGHSXIIMKFW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.10
Rot. Bonds3

About N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine

N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43665299) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID43665299
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCc1ccco1
InChIInChI=1S/C13H22N2O/c1-10-9-15(3)11(2)7-13(10)14-8-12-5-4-6-16-12/h4-6,10-11,13-14H,7-9H2,1-3H3
InChIKeyGWPFGHSXIIMKFW-UHFFFAOYSA-N
XLogP2.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 64908204
N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665551
1,2,5-trimethyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-4-amine
CID 62847170
N-(furan-2-ylmethyl)-3-methyloxan-4-amine
CID 130173705
3-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 54936135
N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 60859803
1,2,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104695040
(1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 124739387
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665501
2-(3,4-dimethylpiperazin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63619827
1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786303
(2S,4S,5R)-N-[2-(2-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 93258463

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine (CID 43665299) is N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine is CC1CN(C)C(C)CC1NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is GWPFGHSXIIMKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-9-15(3)11(2)7-13(10)14-8-12-5-4-6-16-12/h4-6,10-11,13-14H,7-9H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine?
N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 222.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43665299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).