methyl 3-piperidin-4-yloxypropanoate

C9H17NO3 — CID 18969485

IUPACmethyl 3-piperidin-4-yloxypropanoate
SMILESCOC(=O)CCOC1CCNCC1
InChIInChI=1S/C9H17NO3/c1-12-9(11)4-7-13-8-2-5-10-6-3-8/h8,10H,2-7H2,1H3
InChIKeyGUHPKFSCJOJZRE-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds4

About methyl 3-piperidin-4-yloxypropanoate

methyl 3-piperidin-4-yloxypropanoate (PubChem CID 18969485) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 3-piperidin-4-yloxypropanoate.

Molecular Properties

Compound Namemethyl 3-piperidin-4-yloxypropanoate
PubChem CID18969485
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 3-piperidin-4-yloxypropanoate
SMILESCOC(=O)CCOC1CCNCC1
InChIInChI=1S/C9H17NO3/c1-12-9(11)4-7-13-8-2-5-10-6-3-8/h8,10H,2-7H2,1H3
InChIKeyGUHPKFSCJOJZRE-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
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
Methyl 3-(piperidin-4-yloxy)propanoate hydrochloride
CID 18969484
Piperidin-4-yl acetate
CID 11252075
4-Piperidinyl propanoate hydrochloride
CID 53410141
Piperidin-4-yl 2,2-difluoropropanoate
CID 89393503
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
3-(Piperidin-4-yloxy)propanamide
CID 43346268

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-4-yloxypropanoate?
The IUPAC name of methyl 3-piperidin-4-yloxypropanoate (CID 18969485) is methyl 3-piperidin-4-yloxypropanoate.
What is the SMILES notation for methyl 3-piperidin-4-yloxypropanoate?
The canonical SMILES for methyl 3-piperidin-4-yloxypropanoate is COC(=O)CCOC1CCNCC1.
What is the InChIKey of methyl 3-piperidin-4-yloxypropanoate?
The InChIKey is GUHPKFSCJOJZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-12-9(11)4-7-13-8-2-5-10-6-3-8/h8,10H,2-7H2,1H3.
What are the key properties of methyl 3-piperidin-4-yloxypropanoate?
methyl 3-piperidin-4-yloxypropanoate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 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 is sourced from PubChem (CID 18969485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).