(2R)-2-(4-ethynylphenyl)piperidine

C13H15N — CID 130616360

IUPAC(2R)-2-(4-ethynylphenyl)piperidine
SMILESC#Cc1ccc([C@H]2CCCCN2)cc1
InChIInChI=1S/C13H15N/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13/h1,6-9,13-14H,3-5,10H2/t13-/m1/s1
InChIKeySUZAMHWDNDIOQP-CYBMUJFWSA-N
MW185.27 g/mol
LogP2.48
Rot. Bonds1

About (2R)-2-(4-ethynylphenyl)piperidine

(2R)-2-(4-ethynylphenyl)piperidine (PubChem CID 130616360) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-2-(4-ethynylphenyl)piperidine.

Molecular Properties

Compound Name(2R)-2-(4-ethynylphenyl)piperidine
PubChem CID130616360
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(2R)-2-(4-ethynylphenyl)piperidine
SMILESC#Cc1ccc([C@H]2CCCCN2)cc1
InChIInChI=1S/C13H15N/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13/h1,6-9,13-14H,3-5,10H2/t13-/m1/s1
InChIKeySUZAMHWDNDIOQP-CYBMUJFWSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R)-2-(4-ethynylphenyl)piperidine with MolForge

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

Launch Full Analysis

Related Compounds

4-piperidin-2-ylphenol
CID 19711202
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
(2S)-2-phenylpiperidine
CID 10997356
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-(4-tert-butylphenyl)piperidine
CID 4137790
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
2-[4-(trifluoromethyl)phenyl]azepane
CID 3972899
2-[4-(4-methylcyclohexyl)phenyl]piperidine
CID 117397291
(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
CID 171194841
N-cyclopentyl-4-piperidin-2-ylaniline
CID 145056454
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethynylphenyl)piperidine?
The IUPAC name of (2R)-2-(4-ethynylphenyl)piperidine (CID 130616360) is (2R)-2-(4-ethynylphenyl)piperidine.
What is the SMILES notation for (2R)-2-(4-ethynylphenyl)piperidine?
The canonical SMILES for (2R)-2-(4-ethynylphenyl)piperidine is C#Cc1ccc([C@H]2CCCCN2)cc1.
What is the InChIKey of (2R)-2-(4-ethynylphenyl)piperidine?
The InChIKey is SUZAMHWDNDIOQP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15N/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13/h1,6-9,13-14H,3-5,10H2/t13-/m1/s1.
What are the key properties of (2R)-2-(4-ethynylphenyl)piperidine?
(2R)-2-(4-ethynylphenyl)piperidine has a molecular weight of 185.27 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethynylphenyl)piperidine is sourced from PubChem (CID 130616360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).