4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid

C12H22N2O3 — CID 115055711

IUPAC4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid
SMILESO=C(O)C1(O)CCCN(C2CCNCC2)CC1
InChIInChI=1S/C12H22N2O3/c15-11(16)12(17)4-1-8-14(9-5-12)10-2-6-13-7-3-10/h10,13,17H,1-9H2,(H,15,16)
InChIKeyYKVCGLVUAURNMR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.04
Rot. Bonds2

About 4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid

4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid (PubChem CID 115055711) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid
PubChem CID115055711
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid
SMILESO=C(O)C1(O)CCCN(C2CCNCC2)CC1
InChIInChI=1S/C12H22N2O3/c15-11(16)12(17)4-1-8-14(9-5-12)10-2-6-13-7-3-10/h10,13,17H,1-9H2,(H,15,16)
InChIKeyYKVCGLVUAURNMR-UHFFFAOYSA-N
XLogP0.04
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-piperidin-4-ylpyrrolidine-3-carboxylic acid
CID 115028740
1-cycloheptyl-4-hydroxypiperidine-4-carboxylic acid
CID 115055583
3-hydroxy-N-methyl-1-piperidin-4-ylpiperidine-3-carboxamide
CID 71104083
4-methyl-1-piperidin-4-ylpiperidin-4-ol;hydrochloride
CID 75464899
4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
1-piperidin-4-ylpiperidine chloride
CID 3083875
1-cyclopropyl-4-fluoroazepane-4-carboxylic acid
CID 115022243
3,3-dimethyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735226
5-piperidin-4-yl-5-azaspiro[2.5]octane;dihydrochloride
CID 156735083
1-piperidin-4-yl-1,4-diazepane
CID 53414008
1-(azepan-4-yl)-3-methylazetidin-3-ol
CID 131182366
azane;1-piperidin-4-ylpiperidine;platinum(2+);dichloride
CID 10297684

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid (CID 115055711) is 4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid is O=C(O)C1(O)CCCN(C2CCNCC2)CC1.
What is the InChIKey of 4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid?
The InChIKey is YKVCGLVUAURNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-11(16)12(17)4-1-8-14(9-5-12)10-2-6-13-7-3-10/h10,13,17H,1-9H2,(H,15,16).
What are the key properties of 4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid?
4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-piperidin-4-ylazepane-4-carboxylic acid is sourced from PubChem (CID 115055711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).