2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid

C12H22N2O3 — CID 56707865

IUPAC2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C12H22N2O3/c15-11-2-1-5-14(8-11)10-3-6-13(7-4-10)9-12(16)17/h10-11,15H,1-9H2,(H,16,17)
InChIKeyNESFBKVFGJGRQH-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.01
Rot. Bonds3

About 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid

2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid (PubChem CID 56707865) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid
PubChem CID56707865
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C12H22N2O3/c15-11-2-1-5-14(8-11)10-3-6-13(7-4-10)9-12(16)17/h10-11,15H,1-9H2,(H,16,17)
InChIKeyNESFBKVFGJGRQH-UHFFFAOYSA-N
XLogP-0.01
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Hydroxypiperidin-1-yl)propanoic acid
CID 60702626
methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate
CID 11322458
[1,4'-Bipiperidine]-1'-acetic acid
CID 10889611
4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carboxylic acid
CID 67383417
2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid
CID 175943133
2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]acetic acid
CID 10702372
methyl (2S)-2-(3-hydroxypiperidin-1-yl)propanoate
CID 55266585
2-(3-Hydroxypiperidin-1-yl)butanoic acid
CID 60702595
Methyl 2-(3-hydroxypiperidin-1-yl)propanoate
CID 60705678
3-Hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 82776307
2-(4-Amino-3-hydroxypiperidin-1-yl)acetic acid
CID 85238750
(2S)-2-[(3S)-3-hydroxypiperidin-1-yl]butanoic acid
CID 93839335

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid (CID 56707865) is 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid is O=C(O)CN1CCC(N2CCCC(O)C2)CC1.
What is the InChIKey of 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid?
The InChIKey is NESFBKVFGJGRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-11-2-1-5-14(8-11)10-3-6-13(7-4-10)9-12(16)17/h10-11,15H,1-9H2,(H,16,17).
What are the key properties of 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid?
2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 56707865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).