methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride

C9H18ClNO2 — CID 170913421

IUPACmethyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
SMILESCOC(=O)CC1CCN(C)CC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-10-5-3-8(4-6-10)7-9(11)12-2;/h8H,3-7H2,1-2H3;1H
InChIKeyDLYIGNLUYRSQNA-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.31
Rot. Bonds2

About methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride

methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride (PubChem CID 170913421) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
PubChem CID170913421
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namemethyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
SMILESCOC(=O)CC1CCN(C)CC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-10-5-3-8(4-6-10)7-9(11)12-2;/h8H,3-7H2,1-2H3;1H
InChIKeyDLYIGNLUYRSQNA-UHFFFAOYSA-N
XLogP1.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
ethane;methyl 2-(1-propylpiperidin-4-yl)acetate
CID 143432640
propan-2-yl 2-(1-methylpiperidin-4-yl)acetate
CID 83983017
methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
propyl 2-(1-methylpiperidin-4-yl)acetate
CID 58281270
methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate
CID 28748566
(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
CID 59843350
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 122164232
methyl 3-[(1-methylpyrrolidin-3-yl)methyl]but-3-enoate
CID 117268361
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride (CID 170913421) is methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride is COC(=O)CC1CCN(C)CC1.Cl.
What is the InChIKey of methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride?
The InChIKey is DLYIGNLUYRSQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-10-5-3-8(4-6-10)7-9(11)12-2;/h8H,3-7H2,1-2H3;1H.
What are the key properties of methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride?
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride is sourced from PubChem (CID 170913421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).