(6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine

C24H30N6O — CID 177314087

IUPAC(6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine
SMILES[H]/N=C(\c1ccc2cc(OC)ccc2c1)C1CCCN(C2CCC(c3nn[nH]n3)CC2)C1
InChIInChI=1S/C24H30N6O/c1-31-22-11-8-17-13-19(5-4-18(17)14-22)23(25)20-3-2-12-30(15-20)21-9-6-16(7-10-21)24-26-28-29-27-24/h4-5,8,11,13-14,16,20-21,25H,2-3,6-7,9-10,12,15H2,1H3,(H,26,27,28,29)/b25-23+
InChIKeyAXWJVCZFTMETAL-WJTDDFOZSA-N
MW418.55 g/mol
LogP4.17
Rot. Bonds5

About (6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine

(6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine (PubChem CID 177314087) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine
PubChem CID177314087
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name(6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine
SMILES[H]/N=C(\c1ccc2cc(OC)ccc2c1)C1CCCN(C2CCC(c3nn[nH]n3)CC2)C1
InChIInChI=1S/C24H30N6O/c1-31-22-11-8-17-13-19(5-4-18(17)14-22)23(25)20-3-2-12-30(15-20)21-9-6-16(7-10-21)24-26-28-29-27-24/h4-5,8,11,13-14,16,20-21,25H,2-3,6-7,9-10,12,15H2,1H3,(H,26,27,28,29)/b25-23+
InChIKeyAXWJVCZFTMETAL-WJTDDFOZSA-N
XLogP4.17
TPSA90.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine?
The IUPAC name of (6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine (CID 177314087) is (6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine?
The canonical SMILES for (6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine is [H]/N=C(\c1ccc2cc(OC)ccc2c1)C1CCCN(C2CCC(c3nn[nH]n3)CC2)C1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine?
The InChIKey is AXWJVCZFTMETAL-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H30N6O/c1-31-22-11-8-17-13-19(5-4-18(17)14-22)23(25)20-3-2-12-30(15-20)21-9-6-16(7-10-21)24-26-28-29-27-24/h4-5,8,11,13-14,16,20-21,25H,2-3,6-7,9-10,12,15H2,1H3,(H,26,27,28,29)/b25-23+.
What are the key properties of (6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine?
(6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine has a molecular weight of 418.55 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)-[1-[4-(2H-tetrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine is sourced from PubChem (CID 177314087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).