(2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride

C23H30Cl2N6O — CID 22880715

IUPAC(2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
SMILESCOc1ccc(-n2nnnc2C2CC2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl
InChIInChI=1S/C23H28N6O.2ClH/c1-30-21-12-11-19(29-23(17-9-10-17)26-27-28-29)14-18(21)15-25-20-8-5-13-24-22(20)16-6-3-2-4-7-16;;/h2-4,6-7,11-12,14,17,20,22,24-25H,5,8-10,13,15H2,1H3;2*1H/t20-,22-;;/m0../s1
InChIKeySDPGFARMYYTOFO-HWELVIDPSA-N
MW477.44 g/mol
LogP3.97
Rot. Bonds7

About (2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride

(2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride (PubChem CID 22880715) has the molecular formula C23H30Cl2N6O and a molecular weight of 477.44 g/mol. Its IUPAC name is (2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
PubChem CID22880715
Molecular FormulaC23H30Cl2N6O
Molecular Weight477.44 g/mol
Exact Mass476.19
IUPAC Name(2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
SMILESCOc1ccc(-n2nnnc2C2CC2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl
InChIInChI=1S/C23H28N6O.2ClH/c1-30-21-12-11-19(29-23(17-9-10-17)26-27-28-29)14-18(21)15-25-20-8-5-13-24-22(20)16-6-3-2-4-7-16;;/h2-4,6-7,11-12,14,17,20,22,24-25H,5,8-10,13,15H2,1H3;2*1H/t20-,22-;;/m0../s1
InChIKeySDPGFARMYYTOFO-HWELVIDPSA-N
XLogP3.97
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride?
The IUPAC name of (2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride (CID 22880715) is (2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride.
What is the SMILES notation for (2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride?
The canonical SMILES for (2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride is COc1ccc(-n2nnnc2C2CC2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl.
What is the InChIKey of (2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride?
The InChIKey is SDPGFARMYYTOFO-HWELVIDPSA-N. The full InChI is InChI=1S/C23H28N6O.2ClH/c1-30-21-12-11-19(29-23(17-9-10-17)26-27-28-29)14-18(21)15-25-20-8-5-13-24-22(20)16-6-3-2-4-7-16;;/h2-4,6-7,11-12,14,17,20,22,24-25H,5,8-10,13,15H2,1H3;2*1H/t20-,22-;;/m0../s1.
What are the key properties of (2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride?
(2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride has a molecular weight of 477.44 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride is sourced from PubChem (CID 22880715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).