tert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine

C19H25ClN2O2 — CID 161390861

IUPACtert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine
SMILESCC(C)(C)OC=O.Clc1cccc2cccc(N3CCNCC3)c12
InChIInChI=1S/C14H15ClN2.C5H10O2/c15-12-5-1-3-11-4-2-6-13(14(11)12)17-9-7-16-8-10-17;1-5(2,3)7-4-6/h1-6,16H,7-10H2;4H,1-3H3
InChIKeyVSYUVSDDWQVDGW-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.86
Rot. Bonds2

About tert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine

tert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine (PubChem CID 161390861) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is tert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine.

Molecular Properties

Compound Nametert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine
PubChem CID161390861
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Nametert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine
SMILESCC(C)(C)OC=O.Clc1cccc2cccc(N3CCNCC3)c12
InChIInChI=1S/C14H15ClN2.C5H10O2/c15-12-5-1-3-11-4-2-6-13(14(11)12)17-9-7-16-8-10-17;1-5(2,3)7-4-6/h1-6,16H,7-10H2;4H,1-3H3
InChIKeyVSYUVSDDWQVDGW-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine
CID 174649471
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CID 175255357
tert-butyl formate;2-chloro-4-piperazin-1-yl-1,3,5-triazine
CID 159878088
tert-butyl formate;1-[(2-methyl-3-piperidin-1-ylphenyl)methyl]piperazine
CID 174747140
tert-butyl formate;1-(3-iodophenyl)piperazine
CID 159699991
1-(2-chlorophenyl)piperazine
CID 162116490
1-(2-bromo-3-chlorophenyl)piperazine
CID 83744852
tert-butyl formate;(3-chlorophenyl)-piperazin-1-ylmethanone
CID 174747134
tert-butyl formate;1-(2-fluoronaphthalen-1-yl)piperazine
CID 158716075
tert-butyl formate;4-piperazin-1-ylbenzaldehyde
CID 175192422
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol
CID 174458308

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine?
The IUPAC name of tert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine (CID 161390861) is tert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine.
What is the SMILES notation for tert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine?
The canonical SMILES for tert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine is CC(C)(C)OC=O.Clc1cccc2cccc(N3CCNCC3)c12.
What is the InChIKey of tert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine?
The InChIKey is VSYUVSDDWQVDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2.C5H10O2/c15-12-5-1-3-11-4-2-6-13(14(11)12)17-9-7-16-8-10-17;1-5(2,3)7-4-6/h1-6,16H,7-10H2;4H,1-3H3.
What are the key properties of tert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine?
tert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine has a molecular weight of 348.87 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-(8-chloronaphthalen-1-yl)piperazine is sourced from PubChem (CID 161390861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).