tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate

C17H24ClNO4 — CID 68503586

IUPACtert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate
SMILESCOc1cc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl
InChIInChI=1S/C17H24ClNO4/c1-16(2,3)23-15(20)19-9-7-17(21,8-10-19)12-5-6-13(18)14(11-12)22-4/h5-6,11,21H,7-10H2,1-4H3
InChIKeyLSWWQPANJZLNHS-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.57
Rot. Bonds2

About tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate (PubChem CID 68503586) has the molecular formula C17H24ClNO4 and a molecular weight of 341.84 g/mol. Its IUPAC name is tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate
PubChem CID68503586
Molecular FormulaC17H24ClNO4
Molecular Weight341.84 g/mol
Exact Mass341.14
IUPAC Nametert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate
SMILESCOc1cc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl
InChIInChI=1S/C17H24ClNO4/c1-16(2,3)23-15(20)19-9-7-17(21,8-10-19)12-5-6-13(18)14(11-12)22-4/h5-6,11,21H,7-10H2,1-4H3
InChIKeyLSWWQPANJZLNHS-UHFFFAOYSA-N
XLogP3.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-chloro-3-methylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 123559362
tert-butyl 4-[4-(1,3-dioxolan-2-yl)-3-methoxyphenyl]-4-hydroxypiperidine-1-carboxylate
CID 118294788
tert-butyl 4-(4-amino-3-sulfanylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 123713259
tert-butyl 4-(3-aminophenyl)-4-hydroxypiperidine-1-carboxylate
CID 66712303
tert-butyl 4-(3,5-dichlorophenyl)-4-hydroxyazepane-1-carboxylate
CID 90225387
tert-butyl 4-hydroxy-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-1-carboxylate
CID 140766642
tert-butyl 4-(3,4-dichlorophenyl)-4-formylpiperidine-1-carboxylate
CID 89112068
4-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium;tert-butyl 4-(4-chloro-3-fluorophenyl)-4-hydroxypiperidine-1-carboxylate;chloride
CID 160582600
tert-butyl 4-hydroxy-4-(3-methyl-1-benzothiophen-5-yl)piperidine-1-carboxylate
CID 11279469
tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate
CID 58772528
tert-butyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
CID 71909700
tert-butyl 4-[4-[(4-fluorophenyl)methyl]phenyl]-4-hydroxypiperidine-1-carboxylate
CID 22599961

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate (CID 68503586) is tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate is COc1cc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)ccc1Cl.
What is the InChIKey of tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate?
The InChIKey is LSWWQPANJZLNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO4/c1-16(2,3)23-15(20)19-9-7-17(21,8-10-19)12-5-6-13(18)14(11-12)22-4/h5-6,11,21H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate?
tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate has a molecular weight of 341.84 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 68503586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).