[(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol

C19H28N2O3 — CID 162633465

IUPAC[(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
SMILESOC[C@H]1[C@@H]2CC[C@@]3(CN(C4CCN(Cc5ccco5)CC4)C[C@@H]13)O2
InChIInChI=1S/C19H28N2O3/c22-12-16-17-11-21(13-19(17)6-3-18(16)24-19)14-4-7-20(8-5-14)10-15-2-1-9-23-15/h1-2,9,14,16-18,22H,3-8,10-13H2/t16-,17+,18+,19+/m1/s1
InChIKeyNQMMRKPQLYICCB-XWSJACJDSA-N
MW332.44 g/mol
LogP1.72
Rot. Bonds4

About [(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol

[(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol (PubChem CID 162633465) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol.

Molecular Properties

Compound Name[(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
PubChem CID162633465
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
SMILESOC[C@H]1[C@@H]2CC[C@@]3(CN(C4CCN(Cc5ccco5)CC4)C[C@@H]13)O2
InChIInChI=1S/C19H28N2O3/c22-12-16-17-11-21(13-19(17)6-3-18(16)24-19)14-4-7-20(8-5-14)10-15-2-1-9-23-15/h1-2,9,14,16-18,22H,3-8,10-13H2/t16-,17+,18+,19+/m1/s1
InChIKeyNQMMRKPQLYICCB-XWSJACJDSA-N
XLogP1.72
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
CID 154817277
(3R,4S)-3-benzyl-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(hydroxymethyl)piperidin-4-ol;formic acid
CID 154914049
1-(furan-2-ylmethyl)-4-(3-methoxypyrrolidin-1-yl)piperidine
CID 131919672
[(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
CID 155910935
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
[(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
CID 163311739
(3S,4S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid
CID 70736683
[4-amino-1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 117012092
1-[(1R,5S,6R,7S)-9-(furan-2-ylmethyl)-6-(hydroxymethyl)-11-oxa-3,9-diazatricyclo[5.3.1.01,5]undecan-3-yl]-2-(2H-indazol-3-yl)ethanone
CID 176501816
[(1S,5S,6R,7R)-3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
CID 155500284
[(1S,5S,6R,7R)-3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
CID 155495917
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878

Frequently Asked Questions

What is the IUPAC name of [(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The IUPAC name of [(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol (CID 162633465) is [(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol.
What is the SMILES notation for [(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The canonical SMILES for [(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol is OC[C@H]1[C@@H]2CC[C@@]3(CN(C4CCN(Cc5ccco5)CC4)C[C@@H]13)O2.
What is the InChIKey of [(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The InChIKey is NQMMRKPQLYICCB-XWSJACJDSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-12-16-17-11-21(13-19(17)6-3-18(16)24-19)14-4-7-20(8-5-14)10-15-2-1-9-23-15/h1-2,9,14,16-18,22H,3-8,10-13H2/t16-,17+,18+,19+/m1/s1.
What are the key properties of [(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
[(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol has a molecular weight of 332.44 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R,6S,7S)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol is sourced from PubChem (CID 162633465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).