propan-2-yl piperidine-4-carboxylate;hydrochloride

C9H18ClNO2 — CID 118918433

IUPACpropan-2-yl piperidine-4-carboxylate;hydrochloride
SMILESCC(C)OC(=O)C1CCNCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-7(2)12-9(11)8-3-5-10-6-4-8;/h7-8,10H,3-6H2,1-2H3;1H
InChIKeyQUHUCJLNXMTJHO-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.36
Rot. Bonds2

About propan-2-yl piperidine-4-carboxylate;hydrochloride

propan-2-yl piperidine-4-carboxylate;hydrochloride (PubChem CID 118918433) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is propan-2-yl piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl piperidine-4-carboxylate;hydrochloride
PubChem CID118918433
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namepropan-2-yl piperidine-4-carboxylate;hydrochloride
SMILESCC(C)OC(=O)C1CCNCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-7(2)12-9(11)8-3-5-10-6-4-8;/h7-8,10H,3-6H2,1-2H3;1H
InChIKeyQUHUCJLNXMTJHO-UHFFFAOYSA-N
XLogP1.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl piperidine-4-carboxylate;hydrochloride?
The IUPAC name of propan-2-yl piperidine-4-carboxylate;hydrochloride (CID 118918433) is propan-2-yl piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for propan-2-yl piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for propan-2-yl piperidine-4-carboxylate;hydrochloride is CC(C)OC(=O)C1CCNCC1.Cl.
What is the InChIKey of propan-2-yl piperidine-4-carboxylate;hydrochloride?
The InChIKey is QUHUCJLNXMTJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-7(2)12-9(11)8-3-5-10-6-4-8;/h7-8,10H,3-6H2,1-2H3;1H.
What are the key properties of propan-2-yl piperidine-4-carboxylate;hydrochloride?
propan-2-yl piperidine-4-carboxylate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 118918433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).