methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate

C9H17NO3 — CID 105442614

IUPACmethyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1(CO)CCNCC1
InChIInChI=1S/C9H17NO3/c1-13-8(12)6-9(7-11)2-4-10-5-3-9/h10-11H,2-7H2,1H3
InChIKeyFTPAYEKDDWWHOC-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds3

About methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate

methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate (PubChem CID 105442614) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate
PubChem CID105442614
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1(CO)CCNCC1
InChIInChI=1S/C9H17NO3/c1-13-8(12)6-9(7-11)2-4-10-5-3-9/h10-11H,2-7H2,1H3
InChIKeyFTPAYEKDDWWHOC-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-ethylpyrrolidin-3-yl)acetate
CID 165479057
[4-(methoxymethyl)piperidin-4-yl]methanol;hydrochloride
CID 126569824
methyl 2-(3-aminopyrrolidin-3-yl)acetate
CID 115012363
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554
[4-(aminooxymethyl)piperidin-4-yl]methanol
CID 105431439
methyl 2-(1-propylcyclopropyl)acetate
CID 123587364
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate
CID 167738112
tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride
CID 163332476
1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid
CID 59620516
[4-(ethoxymethyl)piperidin-4-yl]methanol
CID 103984986
methyl 3-[1-(2-methoxy-2-oxoethyl)cyclohexyl]-2-oxopropanoate
CID 10467590
methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
CID 142068659

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate (CID 105442614) is methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate is COC(=O)CC1(CO)CCNCC1.
What is the InChIKey of methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate?
The InChIKey is FTPAYEKDDWWHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-8(12)6-9(7-11)2-4-10-5-3-9/h10-11H,2-7H2,1H3.
What are the key properties of methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate?
methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate has a molecular weight of 187.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate is sourced from PubChem (CID 105442614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).