4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid

C12H21NO3 — CID 129462245

IUPAC4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C12H21NO3/c14-11-2-1-7-13(8-11)10-5-3-9(4-6-10)12(15)16/h9-11,14H,1-8H2,(H,15,16)/t9?,10?,11-/m0/s1
InChIKeyQPANJNTVPPPUPX-ILDUYXDCSA-N
MW227.30 g/mol
LogP1.09
Rot. Bonds2

About 4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid

4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 129462245) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
PubChem CID129462245
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C12H21NO3/c14-11-2-1-7-13(8-11)10-5-3-9(4-6-10)12(15)16/h9-11,14H,1-8H2,(H,15,16)/t9?,10?,11-/m0/s1
InChIKeyQPANJNTVPPPUPX-ILDUYXDCSA-N
XLogP1.09
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid (CID 129462245) is 4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(N2CCC[C@H](O)C2)CC1.
What is the InChIKey of 4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is QPANJNTVPPPUPX-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H21NO3/c14-11-2-1-7-13(8-11)10-5-3-9(4-6-10)12(15)16/h9-11,14H,1-8H2,(H,15,16)/t9?,10?,11-/m0/s1.
What are the key properties of 4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid?
4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 129462245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).