(2R)-1-benzyl-2-(2-phenylethynyl)piperidine

C20H21N — CID 177422623

IUPAC(2R)-1-benzyl-2-(2-phenylethynyl)piperidine
SMILESC(#C[C@H]1CCCCN1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N/c1-3-9-18(10-4-1)14-15-20-13-7-8-16-21(20)17-19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13,16-17H2/t20-/m1/s1
InChIKeyQPKPFSYVEVSYBR-HXUWFJFHSA-N
MW275.40 g/mol
LogP4.09
Rot. Bonds2

About (2R)-1-benzyl-2-(2-phenylethynyl)piperidine

(2R)-1-benzyl-2-(2-phenylethynyl)piperidine (PubChem CID 177422623) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is (2R)-1-benzyl-2-(2-phenylethynyl)piperidine.

Molecular Properties

Compound Name(2R)-1-benzyl-2-(2-phenylethynyl)piperidine
PubChem CID177422623
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name(2R)-1-benzyl-2-(2-phenylethynyl)piperidine
SMILESC(#C[C@H]1CCCCN1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N/c1-3-9-18(10-4-1)14-15-20-13-7-8-16-21(20)17-19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13,16-17H2/t20-/m1/s1
InChIKeyQPKPFSYVEVSYBR-HXUWFJFHSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methyl]-2-(2-phenylethynyl)pyrrolidine
CID 46177168
(2R)-1-benzylpiperidin-2-amine
CID 97050484
1-benzyl-2-fluoropiperidine
CID 54431864
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
1-benzyl-2-[(E)-but-1-en-3-ynyl]piperidine
CID 15867084
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
(1-benzylpiperidin-2-yl)-phenylmethanol
CID 14816704
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
2-(1-benzylpiperidin-2-yl)propan-1-amine
CID 82390227

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-(2-phenylethynyl)piperidine?
The IUPAC name of (2R)-1-benzyl-2-(2-phenylethynyl)piperidine (CID 177422623) is (2R)-1-benzyl-2-(2-phenylethynyl)piperidine.
What is the SMILES notation for (2R)-1-benzyl-2-(2-phenylethynyl)piperidine?
The canonical SMILES for (2R)-1-benzyl-2-(2-phenylethynyl)piperidine is C(#C[C@H]1CCCCN1Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-benzyl-2-(2-phenylethynyl)piperidine?
The InChIKey is QPKPFSYVEVSYBR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N/c1-3-9-18(10-4-1)14-15-20-13-7-8-16-21(20)17-19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13,16-17H2/t20-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-(2-phenylethynyl)piperidine?
(2R)-1-benzyl-2-(2-phenylethynyl)piperidine has a molecular weight of 275.40 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-(2-phenylethynyl)piperidine is sourced from PubChem (CID 177422623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).