tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate

C19H29NO3 — CID 110903431

IUPACtert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H29NO3/c1-19(2,3)23-17(21)11-14-20-12-9-16(10-13-20)18(22)15-7-5-4-6-8-15/h4-8,16,18,22H,9-14H2,1-3H3
InChIKeyDRMAICSGXSRFHR-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.16
Rot. Bonds5

About tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate

tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate (PubChem CID 110903431) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
PubChem CID110903431
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Nametert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H29NO3/c1-19(2,3)23-17(21)11-14-20-12-9-16(10-13-20)18(22)15-7-5-4-6-8-15/h4-8,16,18,22H,9-14H2,1-3H3
InChIKeyDRMAICSGXSRFHR-UHFFFAOYSA-N
XLogP3.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
CID 110908629
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
CID 158654311
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 152973298
tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate
CID 70085519
phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
CID 110884402
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide
CID 111022318

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate?
The IUPAC name of tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate (CID 110903431) is tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate?
The canonical SMILES for tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate is CC(C)(C)OC(=O)CCN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate?
The InChIKey is DRMAICSGXSRFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-19(2,3)23-17(21)11-14-20-12-9-16(10-13-20)18(22)15-7-5-4-6-8-15/h4-8,16,18,22H,9-14H2,1-3H3.
What are the key properties of tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate?
tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate has a molecular weight of 319.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate is sourced from PubChem (CID 110903431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).