N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

C17H30N2O2 — CID 62412948

IUPACN-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCCCOC1CCCN(Cc2cc(CNC(C)C)co2)C1
InChIInChI=1S/C17H30N2O2/c1-4-8-20-16-6-5-7-19(11-16)12-17-9-15(13-21-17)10-18-14(2)3/h9,13-14,16,18H,4-8,10-12H2,1-3H3
InChIKeyFPNVNAHXQFEDHU-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.17
Rot. Bonds8

About N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62412948) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62412948
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCCCOC1CCCN(Cc2cc(CNC(C)C)co2)C1
InChIInChI=1S/C17H30N2O2/c1-4-8-20-16-6-5-7-19(11-16)12-17-9-15(13-21-17)10-18-14(2)3/h9,13-14,16,18H,4-8,10-12H2,1-3H3
InChIKeyFPNVNAHXQFEDHU-UHFFFAOYSA-N
XLogP3.17
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62411193
N-[[5-[(3-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62433044
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540274
N-[[5-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 55069819
N-[[5-[(3-methoxypiperidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 102968121
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62413116
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 65324282
1-[5-[(3-ethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62432874
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62420838
1-[3-bromo-4-[(3-propoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102768549
N-[[5-methyl-4-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62411545

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (CID 62412948) is N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is CCCOC1CCCN(Cc2cc(CNC(C)C)co2)C1.
What is the InChIKey of N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is FPNVNAHXQFEDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-8-20-16-6-5-7-19(11-16)12-17-9-15(13-21-17)10-18-14(2)3/h9,13-14,16,18H,4-8,10-12H2,1-3H3.
What are the key properties of N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62412948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).