tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate

C20H29NO6 — CID 118294788

IUPACtert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate
SMILESCOc1cc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)ccc1C1OCCO1
InChIInChI=1S/C20H29NO6/c1-19(2,3)27-18(22)21-9-7-20(23,8-10-21)14-5-6-15(16(13-14)24-4)17-25-11-12-26-17/h5-6,13,17,23H,7-12H2,1-4H3
InChIKeyPRVBXTOKWQBUTC-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.96
Rot. Bonds3

About tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 118294788) has the molecular formula C20H29NO6 and a molecular weight of 379.45 g/mol. Its IUPAC name is tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate
PubChem CID118294788
Molecular FormulaC20H29NO6
Molecular Weight379.45 g/mol
Exact Mass379.20
IUPAC Nametert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate
SMILESCOc1cc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)ccc1C1OCCO1
InChIInChI=1S/C20H29NO6/c1-19(2,3)27-18(22)21-9-7-20(23,8-10-21)14-5-6-15(16(13-14)24-4)17-25-11-12-26-17/h5-6,13,17,23H,7-12H2,1-4H3
InChIKeyPRVBXTOKWQBUTC-UHFFFAOYSA-N
XLogP2.96
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate
CID 68503586
tert-butyl 4-(3-aminophenyl)-4-hydroxypiperidine-1-carboxylate
CID 66712303
tert-butyl 4-(4-chloro-3-methylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 123559362
tert-butyl 4-hydroxy-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-1-carboxylate
CID 140766642
tert-butyl 4-(4-amino-3-sulfanylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 123713259
tert-butyl 4-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]-4-fluoropiperidine-1-carboxylate
CID 153362059
tert-butyl 4-(3,5-dichlorophenyl)-4-hydroxyazepane-1-carboxylate
CID 90225387
tert-butyl 4-hydroxy-4-(3-methyl-1-benzothiophen-5-yl)piperidine-1-carboxylate
CID 11279469
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017220
tert-butyl 4-[4-[(4-fluorophenyl)methyl]phenyl]-4-hydroxypiperidine-1-carboxylate
CID 22599961
tert-butyl 4-hydroxy-4-[4-(methylsulfamoyl)phenyl]piperidine-1-carboxylate
CID 59465781
tert-butyl 2-(5-tert-butyl-2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 156864591

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate (CID 118294788) is tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate is COc1cc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)ccc1C1OCCO1.
What is the InChIKey of tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is PRVBXTOKWQBUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO6/c1-19(2,3)27-18(22)21-9-7-20(23,8-10-21)14-5-6-15(16(13-14)24-4)17-25-11-12-26-17/h5-6,13,17,23H,7-12H2,1-4H3.
What are the key properties of tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate?
tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 379.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 118294788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).