1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

C17H28N2O2 — CID 119129353

IUPAC1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESCc1ccc(CNCC2(N3CCCCC3)CCOCC2)o1
InChIInChI=1S/C17H28N2O2/c1-15-5-6-16(21-15)13-18-14-17(7-11-20-12-8-17)19-9-3-2-4-10-19/h5-6,18H,2-4,7-14H2,1H3
InChIKeyPPRXWPSPFCDERA-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.71
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (PubChem CID 119129353) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
PubChem CID119129353
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESCc1ccc(CNCC2(N3CCCCC3)CCOCC2)o1
InChIInChI=1S/C17H28N2O2/c1-15-5-6-16(21-15)13-18-14-17(7-11-20-12-8-17)19-9-3-2-4-10-19/h5-6,18H,2-4,7-14H2,1H3
InChIKeyPPRXWPSPFCDERA-UHFFFAOYSA-N
XLogP2.71
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid
CID 17486432
1-(5-methylthiophen-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129246
1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129277
(E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide
CID 56786269
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 119129298
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 119129214
1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129346
1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129183
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 115435543
N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine
CID 83007735
1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129181
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129341

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (CID 119129353) is 1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is Cc1ccc(CNCC2(N3CCCCC3)CCOCC2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The InChIKey is PPRXWPSPFCDERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-15-5-6-16(21-15)13-18-14-17(7-11-20-12-8-17)19-9-3-2-4-10-19/h5-6,18H,2-4,7-14H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine has a molecular weight of 292.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 119129353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).