tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate

C19H24N2O3 — CID 69421037

IUPACtert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(23)21-12-10-20(11-13-21)17-15-7-5-4-6-14(15)8-9-16(17)22/h4-9,22H,10-13H2,1-3H3
InChIKeyAJMJAUAGZRSKRD-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.60
Rot. Bonds1

About tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate

tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate (PubChem CID 69421037) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate
PubChem CID69421037
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(23)21-12-10-20(11-13-21)17-15-7-5-4-6-14(15)8-9-16(17)22/h4-9,22H,10-13H2,1-3H3
InChIKeyAJMJAUAGZRSKRD-UHFFFAOYSA-N
XLogP3.60
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate
CID 121260807
tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate
CID 69243250
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate
CID 140993282
tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate
CID 135347163
tert-butyl 4-(1-hydroxypyridin-1-ium-2-yl)piperazine-1-carboxylate
CID 58736710
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperazine-1-carboxylate
CID 155937830
tert-butyl 4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylnaphthalen-1-yl]piperazine-1-carboxylate
CID 130367120
tritert-butyl 10-(pyren-1-ylmethyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 118169351
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
tert-butyl 4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxynaphthalen-1-yl]piperazine-1-carboxylate
CID 130367060

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate (CID 69421037) is tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2c(O)ccc3ccccc23)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate?
The InChIKey is AJMJAUAGZRSKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)24-18(23)21-12-10-20(11-13-21)17-15-7-5-4-6-14(15)8-9-16(17)22/h4-9,22H,10-13H2,1-3H3.
What are the key properties of tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate?
tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate is sourced from PubChem (CID 69421037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).