1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol

C16H25NO3 — CID 156603731

IUPAC1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESCC1CN(Cc2ccoc2)CCC1(O)C1CCOCC1
InChIInChI=1S/C16H25NO3/c1-13-10-17(11-14-2-7-20-12-14)6-5-16(13,18)15-3-8-19-9-4-15/h2,7,12-13,15,18H,3-6,8-11H2,1H3
InChIKeyRPFLWNTWCNDBGX-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.28
Rot. Bonds3

About 1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol

1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol (PubChem CID 156603731) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
PubChem CID156603731
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESCC1CN(Cc2ccoc2)CCC1(O)C1CCOCC1
InChIInChI=1S/C16H25NO3/c1-13-10-17(11-14-2-7-20-12-14)6-5-16(13,18)15-3-8-19-9-4-15/h2,7,12-13,15,18H,3-6,8-11H2,1H3
InChIKeyRPFLWNTWCNDBGX-UHFFFAOYSA-N
XLogP2.28
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]piperidin-4-ol
CID 72837076
(3R,4R)-1-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72861837
(3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72880822
(3R,4R)-3-methyl-1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-4-(oxan-4-yl)piperidin-4-ol
CID 70712878
(3R,4R)-1-(cyclopentylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 86283593
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-(2-phenylmethoxyethyl)piperidin-4-ol
CID 72869524
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-ol
CID 72847808
2-[2-[[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 70762122
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 72878100
3-[[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 70740281
(3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol
CID 72900225
(3R,4R)-4-cyclobutyl-3-methyl-1-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
CID 72888147

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The IUPAC name of 1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol (CID 156603731) is 1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol is CC1CN(Cc2ccoc2)CCC1(O)C1CCOCC1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The InChIKey is RPFLWNTWCNDBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13-10-17(11-14-2-7-20-12-14)6-5-16(13,18)15-3-8-19-9-4-15/h2,7,12-13,15,18H,3-6,8-11H2,1H3.
What are the key properties of 1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol has a molecular weight of 279.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol is sourced from PubChem (CID 156603731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).