(2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine

C23H30N2O — CID 70201937

IUPAC(2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine
SMILESCc1cc(CN[C@H]2CCCN[C@H]2c2ccccc2)c2c(c1)CC(C)(C)O2
InChIInChI=1S/C23H30N2O/c1-16-12-18-14-23(2,3)26-22(18)19(13-16)15-25-20-10-7-11-24-21(20)17-8-5-4-6-9-17/h4-6,8-9,12-13,20-21,24-25H,7,10-11,14-15H2,1-3H3/t20-,21-/m0/s1
InChIKeyCOSSAEHWOXGLMA-SFTDATJTSA-N
MW350.51 g/mol
LogP4.29
Rot. Bonds4

About (2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine

(2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine (PubChem CID 70201937) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is (2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine
PubChem CID70201937
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name(2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine
SMILESCc1cc(CN[C@H]2CCCN[C@H]2c2ccccc2)c2c(c1)CC(C)(C)O2
InChIInChI=1S/C23H30N2O/c1-16-12-18-14-23(2,3)26-22(18)19(13-16)15-25-20-10-7-11-24-21(20)17-8-5-4-6-9-17/h4-6,8-9,12-13,20-21,24-25H,7,10-11,14-15H2,1-3H3/t20-,21-/m0/s1
InChIKeyCOSSAEHWOXGLMA-SFTDATJTSA-N
XLogP4.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine 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

(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2S,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 70199342
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol
CID 11695097
(2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 57158531
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54131867
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 19696673

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine?
The IUPAC name of (2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine (CID 70201937) is (2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine?
The canonical SMILES for (2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine is Cc1cc(CN[C@H]2CCCN[C@H]2c2ccccc2)c2c(c1)CC(C)(C)O2.
What is the InChIKey of (2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine?
The InChIKey is COSSAEHWOXGLMA-SFTDATJTSA-N. The full InChI is InChI=1S/C23H30N2O/c1-16-12-18-14-23(2,3)26-22(18)19(13-16)15-25-20-10-7-11-24-21(20)17-8-5-4-6-9-17/h4-6,8-9,12-13,20-21,24-25H,7,10-11,14-15H2,1-3H3/t20-,21-/m0/s1.
What are the key properties of (2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine?
(2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine has a molecular weight of 350.51 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-phenyl-N-[(2,2,5-trimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 70201937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).