methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate

C14H25NO3 — CID 115537818

IUPACmethyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C1CCCCCC1O
InChIInChI=1S/C14H25NO3/c1-18-14(17)12-8-5-6-10-15(12)11-7-3-2-4-9-13(11)16/h11-13,16H,2-10H2,1H3/t11?,12-,13?/m1/s1
InChIKeyNLVYZRUYGXMLRT-OTTFEQOBSA-N
MW255.36 g/mol
LogP1.71
Rot. Bonds2

About methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate

methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate (PubChem CID 115537818) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
PubChem CID115537818
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C1CCCCCC1O
InChIInChI=1S/C14H25NO3/c1-18-14(17)12-8-5-6-10-15(12)11-7-3-2-4-9-13(11)16/h11-13,16H,2-10H2,1H3/t11?,12-,13?/m1/s1
InChIKeyNLVYZRUYGXMLRT-OTTFEQOBSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate (CID 115537818) is methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C1CCCCCC1O.
What is the InChIKey of methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate?
The InChIKey is NLVYZRUYGXMLRT-OTTFEQOBSA-N. The full InChI is InChI=1S/C14H25NO3/c1-18-14(17)12-8-5-6-10-15(12)11-7-3-2-4-9-13(11)16/h11-13,16H,2-10H2,1H3/t11?,12-,13?/m1/s1.
What are the key properties of methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate?
methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate is sourced from PubChem (CID 115537818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).