tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate

C20H25NO3 — CID 130377896

IUPACtert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(O)c3ccccc23)CC1
InChIInChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-12-10-14(11-13-21)15-8-9-18(22)17-7-5-4-6-16(15)17/h4-9,14,22H,10-13H2,1-3H3
InChIKeyNMKKOMYNUGEXJW-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.66
Rot. Bonds1

About tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate

tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate (PubChem CID 130377896) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
PubChem CID130377896
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nametert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(O)c3ccccc23)CC1
InChIInChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-12-10-14(11-13-21)15-8-9-18(22)17-7-5-4-6-16(15)17/h4-9,14,22H,10-13H2,1-3H3
InChIKeyNMKKOMYNUGEXJW-UHFFFAOYSA-N
XLogP4.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate
CID 130377934
tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate
CID 171109282
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
CID 178017330
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 53485826
tert-butyl 4-[2-hydroxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118550893
tert-butyl 4-(2-benzylphenyl)piperidine-1-carboxylate
CID 21193104
tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate
CID 143790491
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171362038
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate (CID 130377896) is tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(O)c3ccccc23)CC1.
What is the InChIKey of tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate?
The InChIKey is NMKKOMYNUGEXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-12-10-14(11-13-21)15-8-9-18(22)17-7-5-4-6-16(15)17/h4-9,14,22H,10-13H2,1-3H3.
What are the key properties of tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate has a molecular weight of 327.42 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 130377896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).