methyl 3-piperidin-4-yloxypropanoate;hydrochloride

C9H18ClNO3 — CID 18969484

IUPACmethyl 3-piperidin-4-yloxypropanoate;hydrochloride
SMILESCOC(=O)CCOC1CCNCC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-12-9(11)4-7-13-8-2-5-10-6-3-8;/h8,10H,2-7H2,1H3;1H
InChIKeyMNQLGJGZQDMLOQ-UHFFFAOYSA-N
MW223.70 g/mol
LogP0.74
Rot. Bonds4

About methyl 3-piperidin-4-yloxypropanoate;hydrochloride

methyl 3-piperidin-4-yloxypropanoate;hydrochloride (PubChem CID 18969484) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is methyl 3-piperidin-4-yloxypropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-piperidin-4-yloxypropanoate;hydrochloride
PubChem CID18969484
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Namemethyl 3-piperidin-4-yloxypropanoate;hydrochloride
SMILESCOC(=O)CCOC1CCNCC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-12-9(11)4-7-13-8-2-5-10-6-3-8;/h8,10H,2-7H2,1H3;1H
InChIKeyMNQLGJGZQDMLOQ-UHFFFAOYSA-N
XLogP0.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Propionyloxypiperidine
CID 12410235
Piperidin-4-yl acetate hydrochloride
CID 12694334
Piperidin-4-yl acetate
CID 11252075
4-Piperidinyl propanoate hydrochloride
CID 53410141
Methyl 3-(piperidin-4-yloxy)propanoate
CID 18969485
Trifluoro-[[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidin-1-ium-1-yl]methyl]boranuide
CID 171740237
(3-Fluoropiperidin-4-yl) butanoate
CID 174445737
(3-Fluoropiperidin-4-yl) 2,2-dimethylpropanoate
CID 174504278
rel-Methyl 3-(((3R,4S)-3-fluoropiperidin-4-yl)oxy)propanoate
CID 178344640
Piperidin-4-yl butanoate
CID 23289683
Piperidin-4-YL pentanoate
CID 45091374
4-Piperidinyl 2-methylpropanoate hydrochloride
CID 53410128

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-4-yloxypropanoate;hydrochloride?
The IUPAC name of methyl 3-piperidin-4-yloxypropanoate;hydrochloride (CID 18969484) is methyl 3-piperidin-4-yloxypropanoate;hydrochloride.
What is the SMILES notation for methyl 3-piperidin-4-yloxypropanoate;hydrochloride?
The canonical SMILES for methyl 3-piperidin-4-yloxypropanoate;hydrochloride is COC(=O)CCOC1CCNCC1.Cl.
What is the InChIKey of methyl 3-piperidin-4-yloxypropanoate;hydrochloride?
The InChIKey is MNQLGJGZQDMLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-12-9(11)4-7-13-8-2-5-10-6-3-8;/h8,10H,2-7H2,1H3;1H.
What are the key properties of methyl 3-piperidin-4-yloxypropanoate;hydrochloride?
methyl 3-piperidin-4-yloxypropanoate;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-4-yloxypropanoate;hydrochloride is sourced from PubChem (CID 18969484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).