1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid

C12H21NO3 — CID 51063823

IUPAC1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CCC(O)CC2)CC1
InChIInChI=1S/C12H21NO3/c14-11-3-1-10(2-4-11)13-7-5-9(6-8-13)12(15)16/h9-11,14H,1-8H2,(H,15,16)
InChIKeyVVTBIWLWIRGSPK-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.09
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid

1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid (PubChem CID 51063823) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid
PubChem CID51063823
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CCC(O)CC2)CC1
InChIInChI=1S/C12H21NO3/c14-11-3-1-10(2-4-11)13-7-5-9(6-8-13)12(15)16/h9-11,14H,1-8H2,(H,15,16)
InChIKeyVVTBIWLWIRGSPK-UHFFFAOYSA-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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Related Compounds

1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid
CID 65056040
3-(4-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821304
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
1-(azetidin-3-yl)piperidine-4-carboxylic acid
CID 146155819
4-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 23062598
4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129462245
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338
1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid
CID 64731256
1-(4-chlorocyclooctyl)piperidin-4-ol
CID 67282956
1-(3,3-dimethylcyclopentyl)piperidine-4-carboxylic acid
CID 80699258
4-(4-pentylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 12809532
4-hydroxycyclododecane-1-carboxylic acid
CID 23321574

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid (CID 51063823) is 1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C2CCC(O)CC2)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid?
The InChIKey is VVTBIWLWIRGSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-11-3-1-10(2-4-11)13-7-5-9(6-8-13)12(15)16/h9-11,14H,1-8H2,(H,15,16).
What are the key properties of 1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid?
1-(4-hydroxycyclohexyl)piperidine-4-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 1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 51063823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).