(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine

C14H17NO — CID 70240753

IUPAC(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine
SMILESC[C@H]1C[C@H](c2cc3ccccc3o2)CCN1
InChIInChI=1S/C14H17NO/c1-10-8-12(6-7-15-10)14-9-11-4-2-3-5-13(11)16-14/h2-5,9-10,12,15H,6-8H2,1H3/t10-,12+/m0/s1
InChIKeyNPPXEHTZUSGIKF-CMPLNLGQSA-N
MW215.30 g/mol
LogP3.29
Rot. Bonds1

About (2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine

(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine (PubChem CID 70240753) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine.

Molecular Properties

Compound Name(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine
PubChem CID70240753
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine
SMILESC[C@H]1C[C@H](c2cc3ccccc3o2)CCN1
InChIInChI=1S/C14H17NO/c1-10-8-12(6-7-15-10)14-9-11-4-2-3-5-13(11)16-14/h2-5,9-10,12,15H,6-8H2,1H3/t10-,12+/m0/s1
InChIKeyNPPXEHTZUSGIKF-CMPLNLGQSA-N
XLogP3.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzofuran-2-yl)-2-methylpyrrolidine
CID 63897339
2-cyclopropyl-1-benzofuran
CID 12528043
3-(1-benzofuran-2-yl)cyclopentan-1-amine
CID 112705606
4-(5-bromofuran-2-yl)-2-methylpiperidine
CID 117258184
4-(1-benzofuran-2-yl)-1-ethylpiperidine
CID 23312291
3-(1-benzofuran-2-yl)-5-methyl-1,4-thiazepane
CID 66232168
2-(1-benzofuran-2-yl)-1,3-thiazolidine
CID 63898466
4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride
CID 23312202
3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide
CID 173415568
3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine
CID 114733615
3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780929
3-(1-benzofuran-2-yl)-1,4-thiazepane
CID 66216793

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine?
The IUPAC name of (2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine (CID 70240753) is (2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine.
What is the SMILES notation for (2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine?
The canonical SMILES for (2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine is C[C@H]1C[C@H](c2cc3ccccc3o2)CCN1.
What is the InChIKey of (2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine?
The InChIKey is NPPXEHTZUSGIKF-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-8-12(6-7-15-10)14-9-11-4-2-3-5-13(11)16-14/h2-5,9-10,12,15H,6-8H2,1H3/t10-,12+/m0/s1.
What are the key properties of (2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine?
(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine has a molecular weight of 215.30 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine is sourced from PubChem (CID 70240753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).