2-(4-methylpiperidin-1-yl)acetic acid

C8H15NO2 — CID 3153128

IUPAC2-(4-methylpiperidin-1-yl)acetic acid
SMILESCC1CCN(CC(=O)O)CC1
InChIInChI=1S/C8H15NO2/c1-7-2-4-9(5-3-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyAVZSMACEWPTTTE-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)acetic acid

2-(4-methylpiperidin-1-yl)acetic acid (PubChem CID 3153128) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)acetic acid
PubChem CID3153128
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(4-methylpiperidin-1-yl)acetic acid
SMILESCC1CCN(CC(=O)O)CC1
InChIInChI=1S/C8H15NO2/c1-7-2-4-9(5-3-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyAVZSMACEWPTTTE-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
N-iodo-2-(4-methylpiperidin-1-yl)acetamide
CID 171081144
3-methyl-1-(4-methylpiperidin-1-yl)butan-2-one
CID 23588199
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-[4-(2-amino-2-oxoethyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;1-(4-methylcyclohexyl)ethanone
CID 177242208
2-[4-(cyclopropylamino)piperidin-1-yl]acetic acid
CID 145176317
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-(4-methylpiperidin-1-yl)acetic acid (CID 3153128) is 2-(4-methylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)acetic acid is CC1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)acetic acid?
The InChIKey is AVZSMACEWPTTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7-2-4-9(5-3-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(4-methylpiperidin-1-yl)acetic acid?
2-(4-methylpiperidin-1-yl)acetic acid has a molecular weight of 157.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 3153128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).