tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride

C16H25ClN2O3 — CID 142743981

IUPACtert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride
SMILESCC(C)(C)N(C(=O)O)C1CCC(Oc2ccncc2)CC1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-16(2,3)18(15(19)20)12-4-6-13(7-5-12)21-14-8-10-17-11-9-14;/h8-13H,4-7H2,1-3H3,(H,19,20);1H
InChIKeyWMZKMGQAAGOJHR-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.97
Rot. Bonds3

About tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride

tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride (PubChem CID 142743981) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Nametert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride
PubChem CID142743981
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Nametert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride
SMILESCC(C)(C)N(C(=O)O)C1CCC(Oc2ccncc2)CC1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-16(2,3)18(15(19)20)12-4-6-13(7-5-12)21-14-8-10-17-11-9-14;/h8-13H,4-7H2,1-3H3,(H,19,20);1H
InChIKeyWMZKMGQAAGOJHR-UHFFFAOYSA-N
XLogP3.97
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride?
The IUPAC name of tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride (CID 142743981) is tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride.
What is the SMILES notation for tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride?
The canonical SMILES for tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride is CC(C)(C)N(C(=O)O)C1CCC(Oc2ccncc2)CC1.Cl.
What is the InChIKey of tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride?
The InChIKey is WMZKMGQAAGOJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-16(2,3)18(15(19)20)12-4-6-13(7-5-12)21-14-8-10-17-11-9-14;/h8-13H,4-7H2,1-3H3,(H,19,20);1H.
What are the key properties of tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride?
tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-pyridin-4-yloxycyclohexyl)carbamic acid;hydrochloride is sourced from PubChem (CID 142743981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).