tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride

C15H29ClN2O2 — CID 19349778

IUPACtert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;/h12-13,16H,4-11H2,1-3H3;1H
InChIKeyTUJFDCGGOSMEIB-UHFFFAOYSA-N
MW304.86 g/mol
LogP3.05
Rot. Bonds1

About tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride

tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride (PubChem CID 19349778) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
PubChem CID19349778
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Nametert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;/h12-13,16H,4-11H2,1-3H3;1H
InChIKeyTUJFDCGGOSMEIB-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride (CID 19349778) is tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1.Cl.
What is the InChIKey of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride?
The InChIKey is TUJFDCGGOSMEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;/h12-13,16H,4-11H2,1-3H3;1H.
What are the key properties of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride?
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 19349778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).