tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate

C22H31N3O3 — CID 57185615

IUPACtert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)CNc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H31N3O3/c1-22(2,3)28-21(27)25-12-10-24(11-13-25)16-20(26)15-23-19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14,20,23,26H,10-13,15-16H2,1-3H3
InChIKeyARYRADKYTQQOLY-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.17
Rot. Bonds5

About tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate

tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate (PubChem CID 57185615) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate
PubChem CID57185615
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Nametert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)CNc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H31N3O3/c1-22(2,3)28-21(27)25-12-10-24(11-13-25)16-20(26)15-23-19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14,20,23,26H,10-13,15-16H2,1-3H3
InChIKeyARYRADKYTQQOLY-UHFFFAOYSA-N
XLogP3.17
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60908807
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tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate
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tert-butyl 4-[(2S)-2-hydroxybutyl]piperazine-1-carboxylate
CID 124576249
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tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate
CID 82045302
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-naphthalen-2-ylacetic acid
CID 2762256
tert-butyl 4-[2-hydroxy-3-(1-hydroxy-3-oxo-1H-isoindol-2-yl)propyl]piperazine-1-carboxylate
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tert-butyl 4-[(2S,4R)-4-benzyl-2-hydroxy-5-(2-hydroxypropan-2-ylamino)-5-oxopentyl]piperazine-1-carboxylate
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tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851
tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate
CID 82276947
tert-butyl 4-[2-hydroxy-3-[4-[[4-[(4-hydroxyphenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]anilino]propyl]piperazine-1-carboxylate
CID 67074656

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate (CID 57185615) is tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(O)CNc2ccc3ccccc3c2)CC1.
What is the InChIKey of tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate?
The InChIKey is ARYRADKYTQQOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-22(2,3)28-21(27)25-12-10-24(11-13-25)16-20(26)15-23-19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14,20,23,26H,10-13,15-16H2,1-3H3.
What are the key properties of tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate?
tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate has a molecular weight of 385.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-hydroxy-3-(naphthalen-2-ylamino)propyl]piperazine-1-carboxylate is sourced from PubChem (CID 57185615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).