piperidin-4-yl 2-methylpropanoate;hydrochloride

C9H18ClNO2 — CID 53410128

IUPACpiperidin-4-yl 2-methylpropanoate;hydrochloride
SMILESCC(C)C(=O)OC1CCNCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-7(2)9(11)12-8-3-5-10-6-4-8;/h7-8,10H,3-6H2,1-2H3;1H
InChIKeyCWBQIOMLDPDEIB-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.36
Rot. Bonds2

About piperidin-4-yl 2-methylpropanoate;hydrochloride

piperidin-4-yl 2-methylpropanoate;hydrochloride (PubChem CID 53410128) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is piperidin-4-yl 2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl 2-methylpropanoate;hydrochloride
PubChem CID53410128
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namepiperidin-4-yl 2-methylpropanoate;hydrochloride
SMILESCC(C)C(=O)OC1CCNCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-7(2)9(11)12-8-3-5-10-6-4-8;/h7-8,10H,3-6H2,1-2H3;1H
InChIKeyCWBQIOMLDPDEIB-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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Related Compounds

4-Propionyloxypiperidine
CID 12410235
Piperidin-4-yl acetate hydrochloride
CID 12694334
Methyl 3-(piperidin-4-yloxy)propanoate hydrochloride
CID 18969484
(Piperidin-4-yloxy)acetic acid methyl ester hydrochloride
CID 21835549
4-Piperidinylmethyl acetate hydrochloride
CID 53410152
Propan-2-yl piperidine-4-carboxylate hydrochloride
CID 118918433
Tert-butyl 2-(piperidin-4-yloxy)acetate hydrochloride
CID 137698712
Piperidin-4-yl acetate
CID 11252075
Propan-2-yl piperidine-4-carboxylate
CID 545822
4-(2-Methylpropoxy)piperidine hydrochloride
CID 11701187
4-Piperidinyl propanoate hydrochloride
CID 53410141
1-Piperidinepropanoic acid, alpha-methyl-, methyl ester, hydrochloride
CID 177843089

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2-methylpropanoate;hydrochloride?
The IUPAC name of piperidin-4-yl 2-methylpropanoate;hydrochloride (CID 53410128) is piperidin-4-yl 2-methylpropanoate;hydrochloride.
What is the SMILES notation for piperidin-4-yl 2-methylpropanoate;hydrochloride?
The canonical SMILES for piperidin-4-yl 2-methylpropanoate;hydrochloride is CC(C)C(=O)OC1CCNCC1.Cl.
What is the InChIKey of piperidin-4-yl 2-methylpropanoate;hydrochloride?
The InChIKey is CWBQIOMLDPDEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-7(2)9(11)12-8-3-5-10-6-4-8;/h7-8,10H,3-6H2,1-2H3;1H.
What are the key properties of piperidin-4-yl 2-methylpropanoate;hydrochloride?
piperidin-4-yl 2-methylpropanoate;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 piperidin-4-yl 2-methylpropanoate;hydrochloride is sourced from PubChem (CID 53410128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).