[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol

C16H23NO3 — CID 107229803

IUPAC[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H23NO3/c18-12-14-3-1-13(2-4-14)11-17-15-5-7-16(8-6-15)19-9-10-20-16/h1-4,15,17-18H,5-12H2
InChIKeyNWUWJMLRGHHTSK-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.95
Rot. Bonds4

About [4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol

[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol (PubChem CID 107229803) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol
PubChem CID107229803
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H23NO3/c18-12-14-3-1-13(2-4-14)11-17-15-5-7-16(8-6-15)19-9-10-20-16/h1-4,15,17-18H,5-12H2
InChIKeyNWUWJMLRGHHTSK-UHFFFAOYSA-N
XLogP1.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol with MolForge

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Related Compounds

4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822
4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol
CID 61238378
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893
[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
CID 107229924
[3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methanol
CID 168846063
N-[(1-methylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61035182
N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 75513016
N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28646531
(7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine
CID 70952466
4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol
CID 81131365
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 119106747
N-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 86779123

Frequently Asked Questions

What is the IUPAC name of [4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol (CID 107229803) is [4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol is OCc1ccc(CNC2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of [4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol?
The InChIKey is NWUWJMLRGHHTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-12-14-3-1-13(2-4-14)11-17-15-5-7-16(8-6-15)19-9-10-20-16/h1-4,15,17-18H,5-12H2.
What are the key properties of [4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol?
[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol has a molecular weight of 277.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107229803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).