(4-methylpiperidin-4-yl)carbamic acid;hydrochloride

C7H15ClN2O2 — CID 121334668

IUPAC(4-methylpiperidin-4-yl)carbamic acid;hydrochloride
SMILESCC1(NC(=O)O)CCNCC1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-7(9-6(10)11)2-4-8-5-3-7;/h8-9H,2-5H2,1H3,(H,10,11);1H
InChIKeyHWLYLSMESGSEDZ-UHFFFAOYSA-N
MW194.66 g/mol
LogP0.82
Rot. Bonds1

About (4-methylpiperidin-4-yl)carbamic acid;hydrochloride

(4-methylpiperidin-4-yl)carbamic acid;hydrochloride (PubChem CID 121334668) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is (4-methylpiperidin-4-yl)carbamic acid;hydrochloride.

Molecular Properties

Compound Name(4-methylpiperidin-4-yl)carbamic acid;hydrochloride
PubChem CID121334668
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name(4-methylpiperidin-4-yl)carbamic acid;hydrochloride
SMILESCC1(NC(=O)O)CCNCC1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-7(9-6(10)11)2-4-8-5-3-7;/h8-9H,2-5H2,1H3,(H,10,11);1H
InChIKeyHWLYLSMESGSEDZ-UHFFFAOYSA-N
XLogP0.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-4-yl)carbamic acid;hydrochloride?
The IUPAC name of (4-methylpiperidin-4-yl)carbamic acid;hydrochloride (CID 121334668) is (4-methylpiperidin-4-yl)carbamic acid;hydrochloride.
What is the SMILES notation for (4-methylpiperidin-4-yl)carbamic acid;hydrochloride?
The canonical SMILES for (4-methylpiperidin-4-yl)carbamic acid;hydrochloride is CC1(NC(=O)O)CCNCC1.Cl.
What is the InChIKey of (4-methylpiperidin-4-yl)carbamic acid;hydrochloride?
The InChIKey is HWLYLSMESGSEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-7(9-6(10)11)2-4-8-5-3-7;/h8-9H,2-5H2,1H3,(H,10,11);1H.
What are the key properties of (4-methylpiperidin-4-yl)carbamic acid;hydrochloride?
(4-methylpiperidin-4-yl)carbamic acid;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-4-yl)carbamic acid;hydrochloride is sourced from PubChem (CID 121334668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).