(1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C22H30N2+2 — CID 7446012

IUPAC(1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H28N2/c1-2-7-18(8-3-1)17-24-15-13-20(14-16-24)23-22-12-6-10-19-9-4-5-11-21(19)22/h1-5,7-9,11,20,22-23H,6,10,12-17H2/p+2/t22-/m1/s1
InChIKeyOHIOJDQZFQIQEA-JOCHJYFZSA-P
MW322.50 g/mol
LogP1.87
Rot. Bonds4

About (1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

(1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 7446012) has the molecular formula C22H30N2+2 and a molecular weight of 322.50 g/mol. Its IUPAC name is (1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name(1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID7446012
Molecular FormulaC22H30N2+2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name(1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H28N2/c1-2-7-18(8-3-1)17-24-15-13-20(14-16-24)23-22-12-6-10-19-9-4-5-11-21(19)22/h1-5,7-9,11,20,22-23H,6,10,12-17H2/p+2/t22-/m1/s1
InChIKeyOHIOJDQZFQIQEA-JOCHJYFZSA-P
XLogP1.87
TPSA21.05 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze (1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium with MolForge

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Related Compounds

2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409447
2-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 3526276
(3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 6941881
(1-benzylpiperidin-1-ium-4-yl)-[(2-pyrrolidin-1-ylphenyl)methyl]azanium
CID 7778195
1-benzyl-4-cyclopentylpiperazine-1,4-diium
CID 7108959
[(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7202031
naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7322208
2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole
CID 94161380
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
(2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7320166
1-benzyl-4-(2-piperidin-1-ium-1-ylethyl)piperazine-1,4-diium
CID 7436888
(1-benzylpiperidin-1-ium-4-yl)-[(2R)-2-hydroxyhexyl]azanium
CID 7100266

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of (1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 7446012) is (1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for (1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for (1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4ccccc43)CC2)cc1.
What is the InChIKey of (1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is OHIOJDQZFQIQEA-JOCHJYFZSA-P. The full InChI is InChI=1S/C22H28N2/c1-2-7-18(8-3-1)17-24-15-13-20(14-16-24)23-22-12-6-10-19-9-4-5-11-21(19)22/h1-5,7-9,11,20,22-23H,6,10,12-17H2/p+2/t22-/m1/s1.
What are the key properties of (1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
(1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 322.50 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-1-ium-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 7446012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).