1-(furan-3-ylmethyl)-2-methylpiperidine

C11H17NO — CID 131067183

IUPAC1-(furan-3-ylmethyl)-2-methylpiperidine
SMILESCC1CCCCN1Cc1ccoc1
InChIInChI=1S/C11H17NO/c1-10-4-2-3-6-12(10)8-11-5-7-13-9-11/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyWPSQWOQNRYYWKJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.65
Rot. Bonds2

About 1-(furan-3-ylmethyl)-2-methylpiperidine

1-(furan-3-ylmethyl)-2-methylpiperidine (PubChem CID 131067183) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-2-methylpiperidine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-2-methylpiperidine
PubChem CID131067183
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(furan-3-ylmethyl)-2-methylpiperidine
SMILESCC1CCCCN1Cc1ccoc1
InChIInChI=1S/C11H17NO/c1-10-4-2-3-6-12(10)8-11-5-7-13-9-11/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyWPSQWOQNRYYWKJ-UHFFFAOYSA-N
XLogP2.65
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(furan-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882688
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 55182404
1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine
CID 130653751
1-(furan-3-ylmethyl)-2-propan-2-ylazetidine
CID 127001213
2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
CID 82135679
[4-[(2-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888634
1-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanol
CID 82165998
1-(furan-3-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677830
5-[[(2R)-2-methylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 42233591
5-[(2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 171134030

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-2-methylpiperidine?
The IUPAC name of 1-(furan-3-ylmethyl)-2-methylpiperidine (CID 131067183) is 1-(furan-3-ylmethyl)-2-methylpiperidine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-2-methylpiperidine?
The canonical SMILES for 1-(furan-3-ylmethyl)-2-methylpiperidine is CC1CCCCN1Cc1ccoc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-2-methylpiperidine?
The InChIKey is WPSQWOQNRYYWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-10-4-2-3-6-12(10)8-11-5-7-13-9-11/h5,7,9-10H,2-4,6,8H2,1H3.
What are the key properties of 1-(furan-3-ylmethyl)-2-methylpiperidine?
1-(furan-3-ylmethyl)-2-methylpiperidine has a molecular weight of 179.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-2-methylpiperidine is sourced from PubChem (CID 131067183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).