(2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine

C20H24N6O — CID 10546738

IUPAC(2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-n2ncnn2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C20H24N6O/c1-27-19-10-9-17(26-24-14-23-25-26)12-16(19)13-22-18-8-5-11-21-20(18)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,18,20-22H,5,8,11,13H2,1H3/t18-,20-/m0/s1
InChIKeyASUKIWYLLAJHAW-ICSRJNTNSA-N
MW364.45 g/mol
LogP2.25
Rot. Bonds6

About (2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine

(2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine (PubChem CID 10546738) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
PubChem CID10546738
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccc(-n2ncnn2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C20H24N6O/c1-27-19-10-9-17(26-24-14-23-25-26)12-16(19)13-22-18-8-5-11-21-20(18)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,18,20-22H,5,8,11,13H2,1H3/t18-,20-/m0/s1
InChIKeyASUKIWYLLAJHAW-ICSRJNTNSA-N
XLogP2.25
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-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

Vofopitant
CID 6918331
Vofopitant Dihydrochloride
CID 6918330
(2-Methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine
CID 127943
(2S,3S)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 127944
(2S,3S)-N-[[2-methoxy-5-(1,2,4-triazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 10784942
(2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine
CID 122182821
N-[1-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]tetrazol-5-yl]acetamide;dihydrochloride
CID 18667231
(2S,3S)-N-[[2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 22880694
(2S,3S)-N-[[5-(5-ethyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 45259228
(2S,3S)-N-[[2-methoxy-5-(5-propyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 45259231
(2S,3S)-N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 45263832
N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
CID 122033

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine (CID 10546738) is (2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine is COc1ccc(-n2ncnn2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine?
The InChIKey is ASUKIWYLLAJHAW-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H24N6O/c1-27-19-10-9-17(26-24-14-23-25-26)12-16(19)13-22-18-8-5-11-21-20(18)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,18,20-22H,5,8,11,13H2,1H3/t18-,20-/m0/s1.
What are the key properties of (2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine?
(2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine has a molecular weight of 364.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[[2-methoxy-5-(tetrazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 10546738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).