tert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride

C16H33Cl2N3O2 — CID 155858314

IUPACtert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride
SMILESCC(C)(C)OC(=O)N1CCCC(CCN2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-16(2,3)21-15(20)19-9-4-5-14(13-19)6-10-18-11-7-17-8-12-18;;/h14,17H,4-13H2,1-3H3;2*1H
InChIKeyCNASYSVYSCSQOL-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride

tert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride (PubChem CID 155858314) has the molecular formula C16H33Cl2N3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is tert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride.

Molecular Properties

Compound Nametert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride
PubChem CID155858314
Molecular FormulaC16H33Cl2N3O2
Molecular Weight370.37 g/mol
Exact Mass369.19
IUPAC Nametert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride
SMILESCC(C)(C)OC(=O)N1CCCC(CCN2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-16(2,3)21-15(20)19-9-4-5-14(13-19)6-10-18-11-7-17-8-12-18;;/h14,17H,4-13H2,1-3H3;2*1H
InChIKeyCNASYSVYSCSQOL-UHFFFAOYSA-N
XLogP2.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride?
The IUPAC name of tert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride (CID 155858314) is tert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride.
What is the SMILES notation for tert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride?
The canonical SMILES for tert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride is CC(C)(C)OC(=O)N1CCCC(CCN2CCNCC2)C1.Cl.Cl.
What is the InChIKey of tert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride?
The InChIKey is CNASYSVYSCSQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.2ClH/c1-16(2,3)21-15(20)19-9-4-5-14(13-19)6-10-18-11-7-17-8-12-18;;/h14,17H,4-13H2,1-3H3;2*1H.
What are the key properties of tert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride?
tert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride has a molecular weight of 370.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-piperazin-1-ylethyl)piperidine-1-carboxylate;dihydrochloride is sourced from PubChem (CID 155858314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).