[1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol

C17H25NO3 — CID 62020984

IUPAC[1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol
SMILESCC1(c2ccccc2)OCC(CN2CCCCC2CO)O1
InChIInChI=1S/C17H25NO3/c1-17(14-7-3-2-4-8-14)20-13-16(21-17)11-18-10-6-5-9-15(18)12-19/h2-4,7-8,15-16,19H,5-6,9-13H2,1H3
InChIKeyYKUHRFZYYJKCGS-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.12
Rot. Bonds4

About [1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol

[1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol (PubChem CID 62020984) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol
PubChem CID62020984
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol
SMILESCC1(c2ccccc2)OCC(CN2CCCCC2CO)O1
InChIInChI=1S/C17H25NO3/c1-17(14-7-3-2-4-8-14)20-13-16(21-17)11-18-10-6-5-9-15(18)12-19/h2-4,7-8,15-16,19H,5-6,9-13H2,1H3
InChIKeyYKUHRFZYYJKCGS-UHFFFAOYSA-N
XLogP2.12
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol
CID 63282356
2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 64980499
3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 65448257
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 79028441
2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol
CID 62021539
O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine
CID 10465682
[1-(2-methyl-3-phenylprop-2-enyl)piperidin-2-yl]methanol
CID 2845655
[1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 61407709
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
[(2S,4R)-2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872527
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60684693

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol (CID 62020984) is [1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol is CC1(c2ccccc2)OCC(CN2CCCCC2CO)O1.
What is the InChIKey of [1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is YKUHRFZYYJKCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(14-7-3-2-4-8-14)20-13-16(21-17)11-18-10-6-5-9-15(18)12-19/h2-4,7-8,15-16,19H,5-6,9-13H2,1H3.
What are the key properties of [1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol?
[1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 291.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 62020984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).